SCHEMBL12691869

SCHEMBL12691869

CC(C)N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 1/20 0.58
▸ LMNA P02545 6/20 0.58
▸ HTT P42858 2/20 0.58
▸ KMT2A Q03164 3/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TSHR P16473 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL12694218 0.89 EPAS1 (0.60) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL899864 0.77 HSD17B10 (0.52) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL899822 0.75 ALDH1A1 (0.58) LMNAKMT2AALDH1A1KDM4ETSHR
SCHEMBL27927962 0.73 LMNA (0.81) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL30395007 0.73 KMT2A (0.79) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL30395752 0.73 EPAS1 (1.00) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL13734049 0.73 LMNA (0.66) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL12691958 0.73 KDM4E (0.44) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL3541913 0.73 KMT2A (0.78) EPAS1LMNAHTTKMT2AALDH1A1
SCHEMBL899442 0.73 MAPT (0.55) LMNAKMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — 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 (1 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A EPAS1 1305/4885LMNA 2527/4885HTT 1860/4885

“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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