SCHEMBL6073495

SCHEMBL6073495

COc1ccc2c(n1)CCC(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.42
CYP11B1 P15538 10/20 0.42
CYP1A2 P05177 2/20 0.42
CYP19A1 P11511 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
CYP17A1 P05093 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRIM24 O15164 2/20 0.34
ALOX5 P09917 1/20 0.34
POLB P06746 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL20095575 0.91 CYP11B2 (0.38) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4
SCHEMBL4940331 0.72 CYP11B1 (0.35) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4
SCHEMBL6073821 0.71 CYP11B2 (0.37) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4
SCHEMBL30154353 0.70 DRD2 (0.43) CYP11B2CYP11B1CYP1A2CYP3A4POLB
SCHEMBL1436304 0.70 DRD2 (0.43) CYP11B2CYP11B1CYP1A2CYP3A4POLB
SCHEMBL5372018 0.70 BMPR1B (0.39)
SCHEMBL28456231 0.69 KDM4E (0.42) POLBBRD9BRD7
SCHEMBL18635308 0.69 CYP11B2 (0.40) CYP11B2CYP11B1CYP1A2CYP19A1CYP17A1
SCHEMBL6073463 0.69 CYP11B1 (0.36) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4
SCHEMBL6073738 0.68 CYP11B1 (0.35) CYP11B2CYP11B1CYP1A2CYP19A1CYP3A4

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-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1272484-B1 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PROD INC (US) 2005-07-20 EP 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 CYP11B2 3109/4885CYP11B1 2904/4885CYP1A2 1770/4885

“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.