SCHEMBL9944912

SCHEMBL9944912

CNc1cc(N2CCC2)c(C(=O)N[C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 5/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
CTPS1 P17812 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9944825 0.92 POLB (0.44) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944986 0.91 ALDH1A1 (0.47) POLBALDH1A1MAPTKMT2ACYP1A2
SCHEMBL9945028 0.91 POLB (0.44) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944949 0.90 POLB (0.43) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944931 0.90 POLB (0.43) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944967 0.90 POLB (0.43) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944743 0.90 MAPT (0.42) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944885 0.89 ALDH1A1 (0.44) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944962 0.89 POLB (0.42) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944920 0.89 POLB (0.41) POLBALDH1A1MAPTKMT2ACYP1A2

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 126/4885MAPT 4336/4885

“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.