SCHEMBL11768481

SCHEMBL11768481

OCCC1Cc2ccccc2C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.44
TSHR P16473 1/20 0.44
OPRM1 P35372 3/20 0.41
HTR2A P28223 2/20 0.36
HRH1 P35367 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
Alcohol SCHEMBL20359081 0.95 OPRM1 (0.41) BLMTSHROPRM1HTR2AHTR1A
SCHEMBL17539095 0.85 BLM (0.43) BLMTSHROPRM1GRIN2DGRIN3B
SCHEMBL4666507 0.85 BLM (0.43) BLMTSHROPRM1GRIN2DGRIN3B
SCHEMBL9422155 0.84 OPRM1 (0.42) BLMTSHROPRM1HTR1A
SCHEMBL6642817 0.82 BLM (0.52) BLMTSHR
SCHEMBL15018216 0.80 KDM1A (0.41) OPRM1HTR2AHRH1
SCHEMBL15036590 0.80 KDM1A (0.41) OPRM1HTR2AHRH1
SCHEMBL6268863 0.80 HTR2A (0.53) BLMTSHROPRM1HTR2AHRH1
SCHEMBL9334169 0.80 HTR2A (0.53) BLMTSHROPRM1HTR2AHRH1
SCHEMBL8159949 0.80 HTR2A (0.53) BLMTSHROPRM1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-3995052-A Indenopyran- and indenothiopyranalkylamines III in the treatment of depression AYERST MCKENNA AND HARRISON LTD. (CA) 1976-11-30 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 (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-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS NTSR2, HTR3B, NTSR1 BLM 2191/4885TSHR 98/4885OPRM1 250/4885

“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.