SCHEMBL6744630

SCHEMBL6744630

c1ccc2c(c1)ccn2C1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
SLC6A4 P31645 1/20 0.55
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
SCD O00767 3/20 0.42
MAOB P27338 1/20 0.42
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
CREBBP Q92793 1/20 0.39
DGAT1 O75907 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
GRM2 Q14416 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37

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
SCHEMBL29491718 1.00 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL367111 0.87 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL29423860 0.87 DRD2 (0.63) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL12605572 0.83 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL3640167 0.83 DRD2 (0.59) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL28584463 0.81 DRD2 (0.50) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL2424591 0.81 DRD2 (0.58) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4993507 0.79 DRD2 (0.49) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL19691088 0.79 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL7143252 0.79 DRD2 (0.55) DRD2SLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 DRD2 437/4885SLC6A4 631/4885OPRM1 55/4885

“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.