SCHEMBL6074263

SCHEMBL6074263

COc1nc2c(cc1C=O)N(C)C(=O)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.33
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6074106 0.88 PRKDC (0.32) PRKDCPOLB
SCHEMBL6074131 0.80 PRKDC (0.34) PRKDCPOLB
SCHEMBL6073681 0.78 MARK3 (0.32) POLBALDH1A1KDM4ETSHRTDP1
SCHEMBL6073463 0.69 CYP11B1 (0.36) ALDH1A1KDM4ETSHRTDP1
SCHEMBL6073371 0.69 POLB (0.37) PRKDCMEN1KMT2APOLBTDP1
SCHEMBL6073795 0.69 ALDH1A1 (0.46) PRKDCMEN1KMT2APOLBALDH1A1
SCHEMBL9828231 0.63 ALDH1A1 (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL6073524 0.63 MEN1 (0.34) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL6074207 0.63 ALDH1A1 (0.43) PRKDCMEN1KMT2APOLBALDH1A1
SCHEMBL24885682 0.62 ALDH1A1 (0.38) MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US claimed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP claimed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO claimed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 PRKDC 3664/4885MEN1 2361/4885GFER 3390/4885

“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.