SCHEMBL6073645

SCHEMBL6073645

COc1ccc2c(n1)N(C)C(=O)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.35
POLB P06746 3/20 0.34
MARK3 P27448 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 2/20 0.32
MAPT P10636 1/20 0.32
PGR P06401 1/20 0.32
NNMT P40261 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
LCK P06239 1/20 0.32
BACE1 P56817 1/20 0.32
ALOX15 P16050 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
SCHEMBL9840977 0.81 HTR2A (0.34) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL18850851 0.78 MARK3 (0.36) POLBMARK3PGRLCK
SCHEMBL6073476 0.77 LCK (0.38) POLBMARK3HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL15579018 0.75 MARK3 (0.35) MARK3BACE2LCKBACE1
SCHEMBL6073371 0.74 POLB (0.37) IDH1POLBBRD9BRD7MTNR1A
SCHEMBL6073681 0.69 MARK3 (0.32) POLBMARK3TDP1
SCHEMBL3519201 0.68 LMNA (0.37) MARK3MAPTPGRBACE1
SCHEMBL15579173 0.67 SMN1; SMN2 (0.42) POLBMARK3BRD9
SCHEMBL31180209 0.67 POLB (0.34) POLBBRD9BRD7HTR2AHTR2C
SCHEMBL16799478 0.66 DRD2 (0.36) POLBHTR2CMTNR1AMTNR1BTDP1

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 IDH1 2769/4885POLB 2266/4885MARK3 2443/4885

“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.