SCHEMBL7737863

SCHEMBL7737863

COc1nn(C)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GPR3 P46089 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10485371 0.77 KAT2B (0.59) ALDH1A1CYP1A2CYP2C19MEN1HPGD
SCHEMBL1562548 0.77 KDM4E (0.54) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL13481257 0.77 CNR2 (0.56) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL4788468 0.75 KDM4E (0.49) CNR1CNR2KDM4EALDH1A1GPR3
SCHEMBL30200597 0.74 CNR2 (0.35) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL3366921 0.74 CNR2 (0.40) CNR1CNR2KDM4EALDH1A1MEN1
SCHEMBL4007730 0.74 ALDH1A1 (0.42) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL15515042 0.74 GRM4 (0.33) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL30848080 0.74 DDB1 (0.45) CNR1CNR2KDM4EALDH1A1CYP1A2
SCHEMBL7741775 0.73 KAT2B (0.70) CNR1CNR2KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US disclosed
EP-2312949-B1 N-HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 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 (3 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 CNR1 61/4885CNR2 93/4885KDM4E 3364/4885
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, OPRM1 CNR1 5/4885CNR2 19/4885KDM4E 2159/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 CNR1 4376/4885CNR2 4005/4885KDM4E 872/4885

“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.