SCHEMBL6074490

SCHEMBL6074490

COc1cc2c(cc1I)N(C)C(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.50
CYP11B2 P19099 6/20 0.50
CYP19A1 P11511 5/20 0.50
TRIM24 O15164 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP17A1 P05093 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL12057333 0.84 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL4156212 0.79 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL16431883 0.78 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL4157549 0.78 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6073506 0.78 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6605512 0.76 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6074636 0.76 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6074004 0.75 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL8554774 0.74 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6074045 0.73 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4

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 CYP11B1 2904/4885CYP11B2 3109/4885CYP19A1 918/4885

“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.