SCHEMBL6074170

SCHEMBL6074170

COc1cc2c(cc1C=O)N(C)C(=O)[C@H]1CC21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 4/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PRKDC P78527 1/20 0.33
CCL2 P13500 1/20 0.33
PTPN1 P18031 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL4148886 1.00 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL5165016 1.00 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL6073770 1.00 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL13802584 0.82 BRD4 (0.37) ALDH1A1TSHRBRD4MEN1KMT2A
SCHEMBL27578391 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL6074357 0.77 BRD4 (0.36) ALDH1A1TSHRBRD4CCL2HTT
SCHEMBL6073668 0.77 BRD4 (0.36) ALDH1A1TSHRBRD4CCL2HTT
SCHEMBL6074065 0.77 BRD4 (0.36) ALDH1A1TSHRBRD4CCL2HTT
SCHEMBL7017444 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL6073885 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETSHRTDP1

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 5 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
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 ALDH1A1 732/4885MAPT 2751/4885KDM4E 1658/4885

“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.