SCHEMBL3560562

SCHEMBL3560562

Fc1cccc(Br)c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ GALR1 P47211 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ DHFR P00374 2/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38

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
SCHEMBL2847105 0.81 DYRK1A (0.45) DYRK1A
SCHEMBL29441254 0.79 DHODH (0.50) DHODHGRM5XDHGALR1KCNH2
SCHEMBL3571311 0.77 BRD4 (0.49) DHODH
SCHEMBL3560166 0.76 IKBKB (0.43) —
SCHEMBL24315292 0.76 ADORA1 (0.48) DHODHGRM5XDHGALR1KCNH2
SCHEMBL4302188 0.74 TAAR1 (0.42) —
SCHEMBL25836130 0.73 DHODH (0.49) DHODHXDHGALR1KCNH2DYRK1A
SCHEMBL25836138 0.73 DHODH (0.49) DHODHGRM5XDHGALR1KCNH2
SCHEMBL24180475 0.73 DHODH (0.49) DHODHXDHGALR1KCNH2DYRK1A
SCHEMBL22238791 0.73 CRHBP (0.39) —

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-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 DHODH 932/4885GRM5 1599/4885XDH 283/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP DHODH 2104/4885GRM5 1203/4885XDH 796/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 DHODH 884/4885GRM5 1852/4885XDH 230/4885

“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.

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