Sugi Predict

Sugi Predict / Compounds / SCHEMBL1482541

SCHEMBL1482541

SCHEMBL1482541

O=C(O)c1cn(Cc2ccc(N3CCCCC3)nn2)c2c(F)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.54
▸ LMNA P02545 4/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ DNM1L O00429 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL1482877 0.82 CHRM1 (0.63) CHRM1LMNAKDM4ETSHR
SCHEMBL2485899 0.80 CHRM1 (0.69) CHRM1LMNATOP1
SCHEMBL1482313 0.79 CHRM1 (0.57) CHRM1LMNAKDM4EMEN1TSHR
SCHEMBL1482526 0.78 CHRM1 (0.56) CHRM1LMNAKDM4ETSHR
SCHEMBL2485884 0.78 CHRM1 (0.69) CHRM1LMNATOP1
SCHEMBL1481866 0.78 CHRM1 (0.55) CHRM1LMNAKDM4ETSHR
SCHEMBL3230348 0.75 CHRM1 (0.72) CHRM1LMNA
SCHEMBL1482024 0.75 CHRM1 (0.59) CHRM1LMNAKDM4ETSHR
SCHEMBL3234394 0.74 CHRM1 (0.86) CHRM1LMNAHTTCYP2C9
SCHEMBL1481671 0.73 CHRM1 (0.62) CHRM1LMNAKDM4ETSHRTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US claimed
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-8293914-B2 4-OXO,1-4-dihydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
US-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2011-03-31 — — US disclosed
WO-2009134668-A2 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-11-05 — — 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 (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-20110077220-A1 4-OXO,1-4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRM1, OPRL1 CHRM1 1/4885LMNA 4479/4885CASP1 3592/4885

“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.