SCHEMBL909802

SCHEMBL909802

CC1CCC(c2ccccc2C(F)(F)F)C(=O)N1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 8/20 0.40
RBP4 P02753 4/20 0.40
HTR2B P41595 6/20 0.39
HTR2A P28223 3/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 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
SCHEMBL187797 0.76 RBP4 (0.47) TP53GAATDP1HTR2CRBP4
SCHEMBL12462449 0.76 RBP4 (0.47) TP53GAATDP1HTR2CRBP4
SCHEMBL31227327 0.72 HTR2C (0.49) TP53GAATDP1HTR2CRBP4
SCHEMBL16212148 0.72 HTR2C (0.49) TP53GAATDP1HTR2CRBP4
SCHEMBL25378056 0.72 HTR2C (0.49) TP53GAATDP1HTR2CRBP4
SCHEMBL21451909 0.69 GAA (0.49) TP53GAATDP1HTR2CRBP4
SCHEMBL11219404 0.69 HTR2C (0.47) TP53GAATDP1HTR2CRBP4
SCHEMBL195461 0.69 HTR2C (0.40) TP53GAATDP1HTR2CRBP4
SCHEMBL3692014 0.68 GAA (0.44) GAATDP1HTR2CRBP4HTR2B
SCHEMBL7900103 0.68 GAA (0.44) GAATDP1HTR2CRBP4HTR2B

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
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 TP53 1528/4885GAA 2325/4885TDP1 1168/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 TP53 363/4885GAA 1935/4885TDP1 671/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 TP53 2039/4885GAA 1552/4885TDP1 1560/4885

“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.