SCHEMBL7217952

SCHEMBL7217952

COc1ccc2c(c1)N(C1CCN(CCc3cccs3)CC1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
DRD2 P14416 6/20 0.43
DRD4 P21917 6/20 0.43
DRD3 P35462 6/20 0.43
DRD1 P21728 5/20 0.40
DRD5 P21918 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
SCD O00767 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL5871958 0.99 HTR2C (0.46) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL5870925 0.83 HRH3 (0.53) HTR2CHTR2BDRD2HRH3
Hydrochloric Acid SCHEMBL5871514 0.83 HRH3 (0.52) HTR2CHTR2BHRH3
SCHEMBL5871766 0.80 HTR1A (0.53) HTR2CHTR2BHRH3
Hydrochloric Acid SCHEMBL5871695 0.79 HTR1A (0.52) HTR2CHTR2BHRH3
SCHEMBL5871015 0.77 SIGMAR1 (0.55) HTR2CHTR2BHRH3SCD
SCHEMBL5872048 0.77 NOS3 (0.46) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL4073208 0.73 HTR1A (0.55) HTR2CHTR2BHRH3SCD
SCHEMBL28992968 0.73 KDM4E (0.57) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5870907 0.73 HTR1A (0.44) HTR2CHTR2BDRD2SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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-20020019531-A1 Indoles INMT, MUSK, MB HTR2C 222/4885HTR2B 91/4885OPRM1 471/4885

“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.