SCHEMBL908977

SCHEMBL908977

NN1CCCC(c2ccc(F)cc2C(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
EPHX2 P34913 1/20 0.39
OPRM1 P35372 1/20 0.38
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
P2RX7 Q99572 3/20 0.36
HSD11B1 P28845 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34

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
SCHEMBL908685 0.91 NTRK1 (0.42) AREPHX2OPRM1JAK2NTRK1
SCHEMBL3705807 0.85 TP53 (0.39) OPRM1HTR2AHTR2CHTR2B
SCHEMBL12462449 0.83 RBP4 (0.47) HTR2AHTR2CHTR2B
SCHEMBL187797 0.83 RBP4 (0.47) HTR2AHTR2CHTR2B
SCHEMBL909037 0.82 HTR2A (0.40) EPHX2OPRM1P2RX7HTR2AHTR2C
SCHEMBL909334 0.82 KMT2A (0.39) EPHX2OPRM1P2RX7
SCHEMBL909235 0.82 KDM1A (0.41) OPRM1JAK2NTRK1
SCHEMBL909467 0.77 HCRTR1 (0.40) ARP2RX7HSD11B1HTR2AHTR2C
SCHEMBL909482 0.76 TSHR (0.45) JAK2NTRK1HTR2C
SCHEMBL909327 0.75 TRPA1 (0.44) CYP3A4CYP2C9CYP2C19HTR2C

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-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP 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 AR 75/4885EPHX2 292/4885OPRM1 2255/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 AR 118/4885EPHX2 584/4885OPRM1 2031/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 AR 239/4885EPHX2 144/4885OPRM1 2244/4885

“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.