SCHEMBL9944962

SCHEMBL9944962

CCN1CCN(c2cc(NC)c([N+](=O)[O-])cc2C(=O)N[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR174 Q9BXC1 2/20 0.39
MAPK1 P28482 2/20 0.38
MLNR O43193 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 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
SCHEMBL9944912 0.89 POLB (0.51) POLBALDH1A1MAPTKMT2AMAPK1
SCHEMBL9944931 0.88 POLB (0.43) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9944825 0.87 POLB (0.44) POLBALDH1A1LMNAMAPTMEN1
SCHEMBL9944986 0.87 ALDH1A1 (0.47) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL9945028 0.87 POLB (0.44) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9944949 0.86 POLB (0.43) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9944967 0.86 POLB (0.43) POLBALDH1A1TP53MAPTMEN1
SCHEMBL9944743 0.85 MAPT (0.42) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9944885 0.85 ALDH1A1 (0.44) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9945004 0.84 ALDH1A1 (0.42) POLBALDH1A1MAPTMEN1KMT2A

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 126/4885LMNA 1817/4885

“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.