SCHEMBL908685

SCHEMBL908685

NN1CCCC(c2cc(F)ccc2C(F)(F)F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.42
JAK2 O60674 3/20 0.42
AR P10275 2/20 0.39
OPRM1 P35372 1/20 0.37
EPHX2 P34913 1/20 0.36
RBP4 P02753 5/20 0.35
P2RX7 Q99572 1/20 0.33

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
SCHEMBL908977 0.91 AR (0.40) NTRK1JAK2AROPRM1EPHX2
SCHEMBL909235 0.83 KDM1A (0.41) NTRK1JAK2OPRM1
SCHEMBL12462449 0.82 RBP4 (0.47) RBP4
SCHEMBL187797 0.82 RBP4 (0.47) RBP4
SCHEMBL909334 0.81 KMT2A (0.39) OPRM1EPHX2P2RX7
SCHEMBL3705807 0.81 TP53 (0.39) OPRM1
SCHEMBL909037 0.78 HTR2A (0.40) OPRM1EPHX2P2RX7
SCHEMBL909327 0.74 TRPA1 (0.44)
SCHEMBL909467 0.74 HCRTR1 (0.40) ARRBP4P2RX7
SCHEMBL909617 0.73 DPP4 (0.33) AR

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 NTRK1 3400/4885JAK2 2268/4885AR 75/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 NTRK1 1183/4885JAK2 945/4885AR 118/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 NTRK1 2773/4885JAK2 3568/4885AR 239/4885

“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.