SCHEMBL538679

SCHEMBL538679

c1ccc(CN2CCC3(CC2)Cc2ccccc2C3)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.82
TSHR P16473 3/20 0.63
CYP2C19 P33261 3/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP2C9 P11712 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HIF1A Q16665 1/20 0.63
CYP3A4 P08684 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP2D6 P10635 3/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
OPRL1 P41146 1/20 0.56
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
DRD2 P14416 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL3778634 0.85 SIGMAR1 (0.62) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL8197807 0.85 SIGMAR1 (0.62) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL15236204 0.85 ALDH1A1 (0.77) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL2978379 0.82 MC4R (0.70) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL4214758 0.82 SIGMAR1 (0.62) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL3769864 0.82 SIGMAR1 (0.63) SIGMAR1TSHRCYP2D6HTR2AHTR2C
SCHEMBL2524084 0.81 ALDH1A1 (0.62) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL18203105 0.81 SIGMAR1 (0.61) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL4020289 0.80 ALDH1A1 (0.60) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9
SCHEMBL2086761 0.80 TSHR (0.70) SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SIGMAR1 2897/4885TSHR 2881/4885CYP2C19 3021/4885

“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.