SCHEMBL3585696

SCHEMBL3585696

OC(c1ccc(F)cc1)C1CC2CCN1CC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
MRGPRX1 Q96LB2 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR6 P50406 1/20 0.39
RPS6KB1 P23443 2/20 0.37
SLC18A3 Q16572 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3587940 0.80 OPRM1 (0.43) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL26723785 0.72 HTR2A (0.47) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL699428 0.72 CHRNA7 (0.50) CYP2D6
SCHEMBL1348883 0.70 HTR2A (0.58) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL3394400 0.68 HTR2A (0.64) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL9425341 0.68 TACR1 (0.46) HTR2AHTR2CHTR7MRGPRX1CYP2D6
SCHEMBL31489727 0.67 HTR2A (0.55) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL3051979 0.67 HTR2A (0.55) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL26326631 0.66 DHODH (0.54) HTR2AHTR2CHTR7CYP2D6HTR6
SCHEMBL9665371 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680421-B1 USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS SANOFI AVENTIS (FR) 2008-02-13 EP claimed
US-8513246-B2 Use of N-heterocyclylmethylbenzamides in therapeutics SANOFI (FR) 2013-08-20 US disclosed
US-20100022548-A1 USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-7619089-B2 Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2009-11-17 US disclosed
US-20080070941-A1 DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-03-20 US disclosed
EP-1680421-B1 USE OF TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS SANOFI AVENTIS (FR) 2008-02-13 EP disclosed
US-7288656-B2 Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-10-30 US disclosed
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-11-23 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 (3 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-20100022548-A1 USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS NMBR, EGLN2, KRAS HTR2A 1304/4885HTR2C 1039/4885HTR7 2018/4885
US-20080070941-A1 DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS HNMT, CCKBR, CNR2 HTR2A 1233/4885HTR2C 1535/4885HTR7 1670/4885
US-20060264441-A1 Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics HNMT, CCKBR, CNR2 HTR2A 1038/4885HTR2C 1180/4885HTR7 1482/4885

“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.