SCHEMBL17224416

SCHEMBL17224416

Brc1ccc2nn[c]n2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.37
▸ AHR P35869 7/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17454304 0.75 NPC1 (0.36) TSHRMEN1NPC1ALDH1A1RAB9A
SCHEMBL16103557 0.75 APP (0.33) AHR
SCHEMBL17454128 0.71 SCN5A (0.39) AHRNPC1ALDH1A1NFKB1RAB9A
SCHEMBL17454319 0.71 ALDH1A3 (0.36) TSHRMEN1NPC1ALDH1A1LMNA
SCHEMBL17454170 0.67 NQO1 (0.42) TSHRMEN1NPC1ALDH1A1RAB9A
SCHEMBL2262107 0.67 PIK3CG (0.37) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL16033289 0.64 AHR (0.39) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL17796549 0.64 — —
SCHEMBL9943903 0.63 SCN5A (0.56) —
SCHEMBL252922 0.60 PIK3CG (0.47) PIK3CGAHRMEN1NPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 — — US claimed
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-07-15 — — US claimed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — US disclosed
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 — — US disclosed
EP-4036094-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE The Trustees of Columbia University in the City of New York (US) 2022-08-03 — — EP disclosed
EP-3137168-B1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2022-01-05 — — EP disclosed
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-07-15 — — US disclosed
US-11028098-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-08 — — US disclosed
EP-3495357-B1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2021-05-05 — — EP disclosed
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 — — US disclosed
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-10 — — US disclosed
US-10072016-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-11 — — US disclosed
EP-2968303-B1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2018-07-04 — — EP disclosed
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 — — US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 — — US disclosed
EP-3137168-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE The Trustees of Columbia University in the City of New York (US) 2017-03-08 — — EP disclosed
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-22 — — US disclosed
US-20160046648-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 — — US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 — — US disclosed
WO-2015168286-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10407433-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 PIK3CG 1606/4885AHR 272/4885TSHR 83/4885
US-20210214360-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-20160046648-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 PIK3CG 1247/4885AHR 177/4885TSHR 79/4885
US-11028098-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 PIK3CG 1419/4885AHR 154/4885TSHR 85/4885
US-10072016-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S PIK3CG 4465/4885AHR 2246/4885TSHR 2100/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 PIK3CG 1583/4885AHR 277/4885TSHR 110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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