Sugi Predict

Sugi Predict / Compounds / SCHEMBL550510

SCHEMBL550510

SCHEMBL550510

C1CCC2CCCC(C1)N2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ CHRNB3 Q05901 2/20 0.33
▸ CHRNA6 Q15825 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL550147 0.96 CYP2C9 (0.37) CYP2C9TSHRCYP2C19TDP1ALDH1A1
SCHEMBL7848795 0.96 CYP2C9 (0.37) CYP2C9TSHRCYP2C19TDP1ALDH1A1
SCHEMBL551635 0.96 CYP2C9 (0.37) CYP2C9TSHRCYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL1819609 0.96 CYP2C9 (0.37) CYP2C9TSHRCYP2C19TDP1ALDH1A1
SCHEMBL550429 0.96 — —
SCHEMBL9464271 0.96 ALDH1A1 (0.36) CYP2C9TSHRCYP2C19TDP1ALDH1A1
SCHEMBL14545648 0.96 — —
SCHEMBL21965258 0.92 MAPK1 (0.38) CYP2C9TSHRCYP2C19TDP1ALDH1A1
SCHEMBL21067980 0.92 — —
SCHEMBL34529 0.92 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 — — EP disclosed
EP-3454945-B1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH UNIV MICHIGAN REGENTS (US) 2022-01-19 — — EP disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 — — EP disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 — — US disclosed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 — — EP disclosed
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 — — US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 — — US disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 — — EP disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 — — US disclosed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 — — WO disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 — — US disclosed
EP-2076506-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS Purdue Pharma L.P. (US) 2009-07-08 — — EP disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 — — US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 — — US disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 — — WO disclosed
WO-2008089201-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINE AS ORL-1 LIGANDS PURDUE PHARMA L.P. (US) 2008-07-24 — — WO disclosed
EP-0452101-B1 Spiro bridged and unbridged heterocyclic compounds ISRAEL INST BIOLOG RES (IL) 1999-07-07 — — EP disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 — — EP disclosed
US-5407938-A Treating central nervous system disorders; Alzheimer*s ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1995-04-18 — — US disclosed
EP-0452101-A2 Spiro bridged and unbridged heterocyclic compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1991-10-16 — — EP 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 (7 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 CYP2C9 4362/4885TSHR 4097/4885CYP2C19 4610/4885
US-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 CYP2C9 2299/4885TSHR 3559/4885CYP2C19 3617/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 CYP2C9 1406/4885TSHR 3037/4885CYP2C19 935/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 CYP2C9 2204/4885TSHR 3513/4885CYP2C19 3600/4885
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 CYP2C9 1165/4885TSHR 3640/4885CYP2C19 548/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 CYP2C9 1165/4885TSHR 3640/4885CYP2C19 548/4885
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 CYP2C9 1414/4885TSHR 3310/4885CYP2C19 1119/4885

“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.