SCHEMBL9944883

SCHEMBL9944883

CCNc1cc(N2CC[C@@H](F)C2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GPR174 Q9BXC1 3/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
CTPS1 P17812 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR3 P49019 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9944945 0.90 POLB (0.41) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944836 0.90 POLB (0.41) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944884 0.85 NPC1 (0.38) NPC1RAB9A
SCHEMBL9944881 0.85 ALDH1A1 (0.42) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944825 0.84 POLB (0.44) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944914 0.84 ALDH1A1 (0.42) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944743 0.82 MAPT (0.42) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9945015 0.81 MAPT (0.42) POLBALDH1A1GPR174MAPTMAPK1
SCHEMBL9944774 0.81 L3MBTL1 (0.48) POLBALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL9945026 0.81 CTPS1 (0.45) POLBALDH1A1GPR174MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES POLB 2315/4885ALDH1A1 126/4885GPR174 664/4885

“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.