SCHEMBL15868752

SCHEMBL15868752

Cc1cccc2c1[C@]1(CC2)CCc2cccc(CN)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HTR5A P47898 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
CD44 P16070 1/20 0.34
HTR2A P28223 2/20 0.31
HTR1A P08908 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL15866587 0.83 PNMT (0.31) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL15868756 0.83 SLC6A4 (0.36) HTR2A
SCHEMBL15222152 0.81 CD44 (0.47) TAAR1HTR5ACD44MAPT
SCHEMBL15868754 0.77 DRD4 (0.41) OPRK1HTR2ASMN1; SMN2
SCHEMBL15977207 0.76 HTR5A (0.33) HTR5ACD44
SCHEMBL24712825 0.73 CHRNE (0.34) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL15866605 0.73 DRD1 (0.35) PNMT
SCHEMBL15868753 0.72 TSHR (0.44) PNMTHTR5AHTR1AHTR7SMN1; SMN2
SCHEMBL16449686 0.69 DRD1 (0.40)
SCHEMBL13647144 0.69 IDO1 (0.41) TAAR1HTR5AHTR1ASMN1; SMN2

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-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US disclosed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 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-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof FAR1, WEE1, ALDH7A1 PNMT 757/4885TAAR1 930/4885HTR5A 633/4885

“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.