SCHEMBL107346

SCHEMBL107346

CN1CCC(C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43
SLC18A3 Q16572 2/20 0.43
NCF1 P14598 1/20 0.40
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL14900003 1.00 ALDH1A1 (0.47) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL19343090 1.00 ALDH1A1 (0.47) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL20047011 0.97 ALDH1A1 (0.50) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL19343088 0.97 ALDH1A1 (0.50) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL23713738 0.95 ALDH1A1 (0.42) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL19343095 0.91 GNAI3 (0.45) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL19226519 0.91 GNAI3 (0.45) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL19673940 0.88 ALDH1A1 (0.47) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL15217761 0.88 GNAI3 (0.43) ALDH1A1GNAI3GNAO1GNAI1SLC18A3
SCHEMBL2735017 0.87 GNAI3 (0.50) ALDH1A1GNAI3GNAO1GNAI1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-12-22 US disclosed
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 US disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed
WO-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 WO disclosed
EP-1960327-B1 OLIGOMERISATION THE QUEEN'S UNIV OF BELFAST (GB) 2017-03-08 EP disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7223763-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2007-05-29 US disclosed
US-7223763-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2007-05-29 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
CN-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 CN disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 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 (5 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-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, BDKRB2 ALDH1A1 1720/4885GNAI3 442/4885GNAO1 236/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN ALDH1A1 4419/4885GNAI3 4431/4885GNAO1 3827/4885
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 ALDH1A1 3309/4885GNAI3 1234/4885GNAO1 3113/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ALDH1A1 4834/4885GNAI3 1094/4885GNAO1 2266/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885GNAI3 2408/4885GNAO1 4013/4885

“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.