SCHEMBL18128151

SCHEMBL18128151

C[C@@H]1Oc2c(F)cccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
BRD4 O60885 2/20 0.46
DRD2 P14416 7/20 0.45
CREBBP Q92793 2/20 0.44
TRPV1 Q8NER1 5/20 0.41
BRPF1 P55201 1/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL18128266 1.00 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL31402329 0.85 CREBBP (0.60) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL5672928 0.85 CREBBP (0.60) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL3635930 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL2070598 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL12540763 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL12540759 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL3593519 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL20983200 0.80 PARP1 (0.56) PARP1BRD4DRD2CREBBPTRPV1
SCHEMBL18128142 0.80 PARP1 (0.47) PARP1BRD4DRD2TRPV1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 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 (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-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 PARP1 1485/4885BRD4 811/4885DRD2 2523/4885

“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.