SCHEMBL5285727

SCHEMBL5285727

NC1c2ccccc2CCCC1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.51
▸ SLC18A3 Q16572 1/20 0.47
▸ BLM P54132 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ANPEP P15144 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL6338202 1.00 IDO1 (0.51) IDO1SLC18A3BLMTSHRANPEP
SCHEMBL7422856 1.00 IDO1 (0.51) IDO1SLC18A3BLMTSHRANPEP
SCHEMBL6338205 1.00 IDO1 (0.51) IDO1SLC18A3BLMTSHRANPEP
SCHEMBL4992487 1.00 IDO1 (0.51) IDO1SLC18A3BLMTSHRANPEP
SCHEMBL15732128 0.95 SLC18A3 (0.50) IDO1SLC18A3BLMTSHRANPEP
SCHEMBL6097487 0.89 ANPEP (0.50) IDO1SLC18A3ANPEP
SCHEMBL1131055 0.89 ANPEP (0.50) IDO1SLC18A3ANPEP
SCHEMBL5106131 0.89 ANPEP (0.50) IDO1SLC18A3ANPEP
SCHEMBL21782566 0.89 ANPEP (0.50) IDO1SLC18A3ANPEP
SCHEMBL1131717 0.89 ANPEP (0.50) IDO1SLC18A3ANPEP

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-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 — — US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 — — US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 — — US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 — — US disclosed
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 — — EP disclosed
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 — — EP disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
CN-101146773-A 6, 7, 8, 9-tetrahydro-5-amino-5h-benzocyclohepten-6-ol derivatives and related compounds used as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2008-03-19 — — CN disclosed
EP-1863765-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-12 — — EP disclosed
WO-2006100099-A1 6, 7, 8, 9-TETRAHYDRO-5-AMINO-5H-BENZOCYCLOHEPTEN-6-OL DERIVATIVES AND RELATED COMPOUNDS USED AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 — — 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 (4 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 IDO1 2021/4885SLC18A3 1720/4885BLM 3043/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 IDO1 2021/4885SLC18A3 1720/4885BLM 3043/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 IDO1 2021/4885SLC18A3 1720/4885BLM 3043/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 IDO1 2021/4885SLC18A3 1720/4885BLM 3043/4885

“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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