SCHEMBL537937

SCHEMBL537937

Fc1ccc2c(c1)OC1(CCNCC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.52
HTR2A P28223 7/20 0.52
DRD2 P14416 6/20 0.52
KCNH2 Q12809 2/20 0.41
DPP4 P27487 1/20 0.39
KDM1A O60341 2/20 0.38
EPHX2 P34913 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
OPRD1 P41143 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
NAMPT P43490 1/20 0.35
HTR2B P41595 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
Hydrochloric Acid SCHEMBL1691145 0.98 HTR2C (0.51) HTR2CHTR2ADRD2KCNH2DPP4
SCHEMBL1690952 0.87 HTR2A (0.50) HTR2CHTR2ADRD2KCNH2DPP4
SCHEMBL19030798 0.87 HTR2C (0.49) HTR2CHTR2ADRD2DPP4KDM1A
SCHEMBL19030724 0.81 HTR2C (0.43) HTR2CHTR2ADRD2KCNH2DPP4
SCHEMBL31236087 0.81 HTR2C (0.49) HTR2CHTR2ADRD2KDM1AOPRD1
SCHEMBL19852351 0.81 KDM1A (0.38) HTR2CHTR2ADRD2KCNH2KDM1A
SCHEMBL3859304 0.77 HTR2C (0.49) HTR2CHTR2ADRD2KCNH2DPP4
SCHEMBL30529385 0.77 HTR2C (0.49) HTR2CHTR2ADRD2KCNH2DPP4
SCHEMBL28524517 0.77 HTR2C (0.52) HTR2CHTR2ADRD2KCNH2OPRD1
Hydrochloric Acid SCHEMBL4214755 0.76 HTR2C (0.48) HTR2CHTR2ADRD2KCNH2DPP4

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-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
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US 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 HTR2C 3206/4885HTR2A 2745/4885DRD2 2902/4885

“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.