SCHEMBL428343

SCHEMBL428343

O=C1CC(c2cccc(F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.44
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GFER P55789 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL1779811 0.92 MAPT (0.60) GAAMAPTMAP1LC3BCYP19A1KDM4E
SCHEMBL12541069 0.85 PDE4A (0.43) GAAMAPTMAP1LC3BCYP19A1KDM4E
SCHEMBL12540090 0.85 PDE4A (0.43) GAAMAPTMAP1LC3BCYP19A1KDM4E
SCHEMBL12540092 0.85 PDE4A (0.43) GAAMAPTMAP1LC3BCYP19A1KDM4E
SCHEMBL5856736 0.83 KDM4E (0.47) MAP1LC3BCYP19A1KDM4EHTR2AHTR2C
SCHEMBL716517 0.83 KDM4E (0.43) GAAMAPTMAP1LC3BCYP19A1KDM4E
SCHEMBL730107 0.81 ESR2 (0.47) MAP1LC3BCYP19A1KDM4EHTR2AHTR2C
SCHEMBL29878889 0.79 HTR2C (0.47) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL1515236 0.79 HTR2C (0.47) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL21821947 0.78 MAP1LC3B (0.49) MAP1LC3BCYP19A1KDM4EHCAR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO 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 (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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 GAA 2370/4885MAPT 4323/4885MAP1LC3B 4835/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 GAA 2370/4885MAPT 4323/4885MAP1LC3B 4835/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 GAA 2370/4885MAPT 4323/4885MAP1LC3B 4835/4885

“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.