SCHEMBL16307948

SCHEMBL16307948

c1ccc2c(c1)CC[C@@H]1[C@@H]3CCc4ccccc4N3CN21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
HTR2B P41595 3/20 0.49
SRD5A1 P18405 6/20 0.45
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10671459 0.75 HTR2C (0.57) HTR2CHTR2BSRD5A1OPRM1CHRM2
SCHEMBL6946528 0.71 SRD5A1 (0.52) HTR2CHTR2BSRD5A1OPRM1CHRM2
SCHEMBL3723794 0.71 OPRM1 (0.65) HTR2CHTR2BOPRM1TSHRMEN1
SCHEMBL12638317 0.71 HTR2C (0.71) HTR2CHTR2BSRD5A1OPRM1DRD3
SCHEMBL10652419 0.71 HTR2C (0.71) HTR2CHTR2BSRD5A1OPRM1DRD3
SCHEMBL31091227 0.70 NOTUM (0.56) HTR2CHTR2BSRD5A1OPRM1CHRM2
SCHEMBL10653852 0.69 HTR2C (0.69) HTR2CHTR2BSRD5A1OPRM1DRD3
SCHEMBL16307929 0.69 SLC18A3 (0.49) TSHRMEN1KMT2AALDH1A1
SCHEMBL11262644 0.68 MTNR1A (0.46) HTR2CHTR2BSRD5A1OPRM1CHRM2
SCHEMBL16307942 0.67 FAAH (0.44) HTR2CHTR2BOPRM1HTR1ASLC6A2

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-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C HTR2C 1790/4885HTR2B 2473/4885SRD5A1 272/4885

“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.