SCHEMBL427827

SCHEMBL427827

O=C1CC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.58
DRD2 P14416 1/20 0.49
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
GRM2 Q14416 1/20 0.45
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KDM1A O60341 3/20 0.44
PBRM1 Q86U86 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL12676364 0.93 HTR2C (0.55) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL5858171 0.85 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL26003468 0.83 HTR2C (0.49) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL15335808 0.83 HTR2C (0.64) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL1065758 0.81 HTR2C (0.77) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL16799485 0.79 HTR2C (0.55) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL1269261 0.79 HTR2C (0.55) HTR2CDRD2HTR2AHTR2BGRM2
SCHEMBL12676291 0.79 GAA (0.46) HTR2CGRM2GAAMAPTKDM1A
SCHEMBL29992351 0.79 HTR2C (0.58) HTR2CDRD2HTR2AHTR2BHTR1A
SCHEMBL23933264 0.78 HTR2C (0.62) HTR2CDRD2HTR2AHTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (4 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A HTR2C 501/4885DRD2 911/4885HTR2A 580/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885DRD2 430/4885HTR2A 2946/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTR2C 1935/4885DRD2 430/4885HTR2A 2946/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 HTR2C 1935/4885DRD2 430/4885HTR2A 2946/4885

“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.