SCHEMBL444141

SCHEMBL444141

O=C1CCC(c2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
ESR2 Q92731 2/20 0.50
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR3A P46098 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL718300 0.89 ESR2 (0.50) SRD5A1ESR2ALDH1A1POLBSMN1; SMN2
SCHEMBL3536658 0.88 ESR2 (0.64) SRD5A1ESR2ALDH1A1POLBSMN1; SMN2
Ethylene SCHEMBL13737971 0.84 ESR2 (0.60) SRD5A1ESR2ALDH1A1POLBSMN1; SMN2
SCHEMBL425308 0.83 POLB (0.58) SRD5A1ALDH1A1POLBSMN1; SMN2ALOX12
SCHEMBL28137635 0.81 ESR2 (0.69) SRD5A1ESR2ALDH1A1POLBSMN1; SMN2
SCHEMBL7004274 0.80 ESR2 (0.50) SRD5A1ESR2ALDH1A1POLBSMN1; SMN2
SCHEMBL2150278 0.80 ESR2 (0.78) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3703094 0.80 ESR2 (0.50) SRD5A1ESR2PDE4APDE4BPDE4C
SCHEMBL2047764 0.80 ESR2 (0.50) ESR2MAP1LC3BPDE4APDE4BPDE4C
SCHEMBL14144935 0.80 ESR2 (0.50) SRD5A1ESR2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240150324-A1 5-Membered Heteroaryl Carboxamide Compounds for Treatment of HBV ASSEMBLY BIOSCIENCES, INC. 2024-05-09 US disclosed
US-11560370-B1 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-01-24 US disclosed
US-11560370-B1 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2023-01-24 US disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
EP-2155716-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS Pfizer Inc. (US) 2010-02-24 EP disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
CN-87106830-A TERTIARY AMINE COMPOUND 1988-06-29 CN disclosed
EP-0259977-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP disclosed
CN-87105345-A Tertiary amine compound 1988-02-03 CN disclosed
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 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 (8 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 SRD5A1 2496/4885ESR2 536/4885ALDH1A1 1071/4885
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 SRD5A1 679/4885ESR2 2258/4885ALDH1A1 319/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 SRD5A1 1335/4885ESR2 2130/4885ALDH1A1 3777/4885
US-11560370-B1 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS SRD5A1 3162/4885ESR2 2107/4885ALDH1A1 4534/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 SRD5A1 1335/4885ESR2 2130/4885ALDH1A1 3777/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 SRD5A1 1335/4885ESR2 2130/4885ALDH1A1 3777/4885
US-20240150324-A1 5-Membered Heteroaryl Carboxamide Compounds for Treatment of HBV HCCS, HAVCR2, MAVS SRD5A1 3162/4885ESR2 2107/4885ALDH1A1 4534/4885
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS SRD5A1 3162/4885ESR2 2107/4885ALDH1A1 4534/4885

“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.