SCHEMBL9944931

SCHEMBL9944931

CNc1cc(N2CCN(C3CC3)CC2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CTPS1 P17812 1/20 0.38
GPR174 Q9BXC1 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DRD2 P14416 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9944912 0.90 POLB (0.51) POLBKMT2AALDH1A1MAPTMAPK1
SCHEMBL9944885 0.90 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944949 0.89 POLB (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944825 0.88 POLB (0.44) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944962 0.88 POLB (0.42) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9945028 0.87 POLB (0.44) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944986 0.87 ALDH1A1 (0.47) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944905 0.87 ALDH1A1 (0.44) POLBALDH1A1MAPTMAPK1NPC1
SCHEMBL9944891 0.87 ALDH1A1 (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9944967 0.86 POLB (0.43) POLBMEN1KMT2AALDH1A1MAPT

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 2315/4885MEN1 4598/4885KMT2A 3376/4885

“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.