SCHEMBL3104290

SCHEMBL3104290

O=C(c1ccc(-n2cccn2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TET3 O43151 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
TET1 Q8NFU7 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CXXC4 Q9H2H0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3104212 0.84 KDM4E (0.64) KMT2AMEN1POLBPKMNPSR1
SCHEMBL13092197 0.84 NPSR1 (0.49) KMT2AMEN1POLBPKMNPSR1
SCHEMBL350760 0.82 KDM4E (0.47) KMT2AMEN1POLBPKMNPSR1
SCHEMBL3101546 0.82 ALDH1A1 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL3098807 0.81 ALDH1A1 (0.62) KMT2AMEN1NPSR1CA12CA1
SCHEMBL3104338 0.81 LSS (0.52) KMT2AMEN1CA12CA1CA2
SCHEMBL14080354 0.80 KMT2A (0.50) KMT2AMEN1CA12CA1CA2
SCHEMBL3102395 0.79 SMN1; SMN2 (0.52) KMT2AMEN1POLBCA12CA1
SCHEMBL29944177 0.79 ALDH1A1 (0.61) KMT2AMEN1POLBPKMNPSR1
SCHEMBL3101764 0.79 MAPK1 (0.62) KMT2AMEN1POLBNPSR1CA12

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KMT2A 1488/4885MEN1 4869/4885POLB 2329/4885

“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.