SCHEMBL17487346

SCHEMBL17487346

NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
FAAH O00519 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LCAT P04180 1/20 0.43
CHRM4 P08173 9/20 0.42
CHRM2 P08172 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL20346553 1.00 GRM2 (0.47) GRM2FAAHCYP2C9CYP2C19LCAT
Hydrochloric Acid SCHEMBL20582536 0.99 GRM2 (0.47) GRM2FAAHCYP2C9CYP2C19LCAT
SCHEMBL19514033 0.90 GRM2 (0.46) GRM2FAAHCYP2C9CYP2C19LCAT
SCHEMBL16447362 0.88 FAAH (0.53) GRM2FAAHCYP2C9CYP2C19CHRM4
SCHEMBL17878026 0.86 ALDH1A1 (0.48) CYP2C9CHRM4KCNH2ALDH1A1TSHR
SCHEMBL19514120 0.85 FAAH (0.47) GRM2FAAHCYP2C9CYP2C19LCAT
SCHEMBL19538687 0.85 KCNH2 (0.55) FAAHCHRM4CHRM2KCNH2EPHX2
Hydrochloric Acid SCHEMBL19514068 0.84 KCNH2 (0.54) FAAHCHRM4CHRM2KCNH2EPHX2
SCHEMBL16447469 0.83 HTR2C (0.45) GRM2
SCHEMBL15441770 0.83 CHRM4 (0.49) GRM2FAAHCYP2C9CYP2C19LCAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-20210009583-A1 DEUTERATED IMIDAZOPYRIDINES UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-01-14 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 US disclosed
WO-2019175737-A1 DEUTERATED IMIDAZOPYRIDINES UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-09-19 WO disclosed
WO-2019175737-A1 DEUTERATED IMIDAZOPYRIDINES UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-09-19 WO disclosed
US-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (9 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF ABCG2, ABCC1, PNPO GRM2 3486/4885FAAH 4730/4885CYP2C9 29/4885
US-20210009583-A1 DEUTERATED IMIDAZOPYRIDINES SDHA, PDF, IDH2 GRM2 4256/4885FAAH 2500/4885CYP2C9 3230/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 GRM2 4810/4885FAAH 4484/4885CYP2C9 1874/4885
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 GRM2 1460/4885FAAH 622/4885CYP2C9 284/4885

“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.