SCHEMBL16652332

SCHEMBL16652332

Cc1nc(N2CCNCC2)ncc1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.64
▸ ALDH1A1 P00352 14/20 0.53
▸ CYP1A2 P05177 14/20 0.53
▸ HSD17B10 Q99714 13/20 0.53
▸ CYP3A4 P08684 12/20 0.53
▸ USP2 O75604 11/20 0.53
▸ CYP2C19 P33261 10/20 0.53
▸ CYP2C9 P11712 8/20 0.53
▸ CYP2D6 P10635 5/20 0.53
▸ HPGD P15428 10/20 0.49
▸ CASP1 P29466 9/20 0.49
▸ CASP7 P55210 8/20 0.49
▸ HIF1A Q16665 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CETP P11597 1/20 0.47
▸ TSHR P16473 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL16662387 0.86 POLB (0.48) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL16652723 0.84 TAAR1 (0.64) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL712846 0.79 TAAR1 (1.00) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL16651432 0.77 TAAR1 (0.97) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL16651431 0.76 TAAR1 (0.94) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL18583898 0.76 TAAR1 (0.53) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL16652233 0.75 ACHE (0.60) ACHE
SCHEMBL28839913 0.74 TAAR1 (0.53) TAAR1HTR6
SCHEMBL9486237 0.74 ALDH1A1 (0.54) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL11827175 0.73 TAAR1 (0.47) TAAR1ALDH1A1CYP1A2HSD17B10CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 — — US disclosed
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 — — US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 — — US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 — — US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 — — US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 — — US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — WO disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — WO disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — US disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — US 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 (2 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-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B TAAR1 3443/4885ALDH1A1 1315/4885CYP1A2 3851/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B TAAR1 3443/4885ALDH1A1 1315/4885CYP1A2 3851/4885

“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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