SCHEMBL187439

SCHEMBL187439

CC1CC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.56
▸ HTR2C P28335 9/20 0.56
▸ MAOA P21397 7/20 0.56
▸ KDM1A O60341 5/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ CYP2B6 P20813 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL7216730 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL21111934 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL20195820 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
Ammonia Solution, Strong SCHEMBL266310 0.97 MAOB (0.54) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL9228291 0.91 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL11851470 0.87 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL5682494 0.82 MAOB (0.45) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL5682467 0.82 MAOB (0.45) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL8845464 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL10540521 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems — 2011-12-28 — — CN claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 — — US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
CN-118993931-A Method for synthesizing beta-azido ketone compound 山东第一医科大学(山东省医学科学院) 2024-11-22 — — CN disclosed
CN-116730784-A Synthesis method of malonic acid derivative 华南理工大学 2023-09-12 — — CN disclosed
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 — — WO disclosed
EP-3495349-B1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2023-06-28 — — EP disclosed
CN-115968934-A Method for preserving eggs and improving quality of egg content 铁骑力士食品有限责任公司 2023-04-18 — — CN disclosed
CN-113456626-B Xanthine oxidase inhibitor and screening method and application thereof 吉林大学 2022-05-06 — — CN disclosed
CN-113456626-A Xanthine oxidase inhibitor and screening method and application thereof 吉林大学 2021-10-01 — — CN disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 — — US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 — — US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 — — EP disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 — — WO disclosed
US-4255595-A Optically active cyclooctenyl ethyl alcohol STUDIENGESELLSCHAFT KOHLE MBH (DE) 1981-03-10 — — US disclosed
US-4152366-A POLYMERIZABLE TO OPTICALLY ACTIVE POLYMERS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1979-05-01 — — US disclosed
US-4098834-A Optically active 3-substituted cyclooctene bicyclo-[6.0.3.]-undecene-3 and exo-2-vinyl norbornane STUDIENGESELLSCHAFT KOHLE MBH (DE) 1978-07-04 — — US disclosed
US-3978147-A NI, LEWIS ACID, PHOSPHINE STUDIENGESELLSCHAFT KOHLE M.B.H (DT) 1976-08-31 — — 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 (1 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MAOB 335/4885HTR2C 4435/4885MAOA 490/4885

“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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