SCHEMBL7873393

SCHEMBL7873393

C(#Cc1ccccn1)c1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
GRM5 P41594 6/20 0.49
KCNH2 Q12809 1/20 0.47
ERN1 O75460 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL30214468 0.84 FFAR1 (0.58) FFAR1GRM5KCNH2CYP1A2
SCHEMBL1809895 0.84 FFAR1 (0.58) FFAR1GRM5KCNH2CYP1A2
Hydrochloric Acid SCHEMBL19668206 0.82 FFAR1 (0.57) FFAR1GRM5KCNH2CYP1A2
SCHEMBL352291 0.81 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL14061855 0.81 GRM5 (0.53) FFAR1GRM5KCNH2ERN1
SCHEMBL31673060 0.80 GRM5 (0.55) FFAR1GRM5KCNH2ERN1CYP1A2
SCHEMBL14562623 0.79 FFAR1 (0.40) FFAR1GRM5ERN1
SCHEMBL4750207 0.77 FFAR1 (0.53) FFAR1GRM5KCNH2ERN1CYP1A2
SCHEMBL5569770 0.77 GRM5 (0.53) FFAR1GRM5KCNH2ERN1CYP1A2
SCHEMBL28950042 0.77 GRM5 (0.56) FFAR1GRM5KCNH2ERN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO claimed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO claimed
US-6319925-B1 MICROBICIDAL, ACARICIDAL AND INSECTICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-20 US claimed
EP-0848701-B1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE IN CROP PROTECTION COMPOSITIONS NOVARTIS AG (CH) 2000-05-17 EP claimed
EP-0848701-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE IN CROP PROTECTION COMPOSITIONS Novartis AG (CH) 1998-06-24 EP claimed
WO-1997001530-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE IN CROP PROTECTION COMPOSITIONS NOVARTIS AG (CH) 1997-01-16 WO claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 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 (2 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 FFAR1 373/4885GRM5 2617/4885KCNH2 893/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R FFAR1 260/4885GRM5 2703/4885KCNH2 1032/4885

“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.