SCHEMBL5066698

SCHEMBL5066698

CC(C)(CC(=O)O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MMP8 P22894 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1189424 0.84 RIPK1 (0.45) RIPK1CYP2C19LMNAALDH1A1RAB9A
SCHEMBL26167147 0.83 CYP2C19 (0.40) RIPK1CYP2C19HIF1ALMNAALDH1A1
SCHEMBL1344175 0.80 PPID (0.58) RIPK1LMNAALDH1A1SMN1; SMN2MMP8
SCHEMBL2172486 0.80 MAPT (0.56) RIPK1LMNAALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10886319 0.79 PPID (0.57) RIPK1LMNAALDH1A1SMN1; SMN2MMP8
SCHEMBL3631502 0.79 HTT (0.61) RIPK1LMNAALDH1A1RAB9ACYP3A4
SCHEMBL11751773 0.78 CYP2D6 (0.48) RIPK1CYP2C19LMNARAB9ACYP3A4
SCHEMBL19963515 0.78 CYP2D6 (0.48) RIPK1CYP2C19LMNAALDH1A1RAB9A
SCHEMBL6703926 0.78 THRB (0.42) RIPK1CYP2C19HIF1ALMNACYP2C9
SCHEMBL26167146 0.77 ALDH1A1 (0.47) RIPK1CYP2C19HIF1ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-1272484-B1 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PROD INC (US) 2005-07-20 EP disclosed
CN-1432011-A Benzoamide piperidine compounds as substance P antagonists PFIZER PROD INC (US) 2003-07-23 CN 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 (2 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 RIPK1 3759/4885CYP2C19 1385/4885HIF1A 105/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 RIPK1 4043/4885CYP2C19 613/4885HIF1A 3551/4885

“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.