SCHEMBL6074259

SCHEMBL6074259

COc1cc2c(cc1C=O)N(C)C(=O)CC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
RXRA P19793 5/20 0.39
POLA1 P09884 2/20 0.38
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6074207 0.77 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL5791971 0.75 RXRA (0.49) RXRA
SCHEMBL6073795 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL4156212 0.74 CYP11B1 (0.48) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6073485 0.74 RXRA (0.33) ALDH1A1KDM4EMAPTRXRAERN1
SCHEMBL6075049 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6073600 0.72 LMNA (0.51) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL7713216 0.72 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6619979 0.72 LMNA (0.54) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL6617519 0.72 LMNA (0.55) ALDH1A1KDM4ETSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 732/4885KDM4E 1658/4885TSHR 2536/4885

“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.