SCHEMBL4085391

SCHEMBL4085391

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)c(C#N)c3)c2C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.43
BRD4 O60885 2/20 0.43
CREBBP Q92793 2/20 0.43
HMOX1 P09601 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
P2RX7 Q99572 2/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
RET P07949 2/20 0.38
EP300 Q09472 1/20 0.38
ESR2 Q92731 1/20 0.37
CFTR P13569 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
SCHEMBL4514777 0.85 MAPK1 (0.47) MAPK1NPC1BRD4CREBBPHMOX1
SCHEMBL2977256 0.83 MAPK1 (0.57) MAPK1NPC1BRD4CREBBPGPR119
SCHEMBL1336775 0.82 MAPK1 (0.56) MAPK1NPC1BRD4CREBBPHMOX1
SCHEMBL4762437 0.81 MAPK1 (0.72) MAPK1NPC1BRD4CREBBPP2RX7
SCHEMBL16836084 0.80 GPR119 (0.50) MAPK1GPR119P2RX7RETESR2
SCHEMBL4712216 0.79 MAPK1 (0.56) MAPK1NPC1BRD4CREBBPDPP4
SCHEMBL2975661 0.79 MAPK1 (0.56) MAPK1NPC1BRD4CREBBPDPP4
SCHEMBL4083458 0.79 HMOX1 (0.51) MAPK1HMOX1
SCHEMBL2966970 0.79 MAPK1 (0.49) MAPK1NPC1BRD4CREBBPHMOX1
SCHEMBL10095067 0.79 BRD4 (0.67) MAPK1NPC1BRD4CREBBPP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-10-30 US 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-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAPK1 2735/4885NPC1 1160/4885BRD4 118/4885
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAPK1 2323/4885NPC1 1115/4885BRD4 337/4885

“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.