SCHEMBL20997147

SCHEMBL20997147

O=C(Nc1ccncc1)N1CCC(=Cc2ccc(Cl)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.49
▸ FNTA P49354 2/20 0.48
▸ FNTB P49356 2/20 0.48
▸ PROKR1 Q8TCW9 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP3A5 P20815 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FAAH O00519 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ S1PR2 O95136 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL20996942 0.87 PROKR1 (0.47) PROKR1MAPTMEN1KMT2AKDM4E
SCHEMBL20996955 0.87 PROKR1 (0.45) TRPV1FNTAFNTBPROKR1CYP3A4
SCHEMBL20997176 0.85 PROKR1 (0.42) TRPV1FNTAFNTBPROKR1MAPT
SCHEMBL20971774 0.84 IDO1 (0.42) PROKR1MAPTKDM4ENPSR1MAPK1
SCHEMBL20971759 0.84 PROKR1 (0.43) PROKR1MAPTFAAHKDM4ENPSR1
SCHEMBL20971843 0.82 PROKR1 (0.40) TRPV1FNTAFNTBPROKR1MAPT
SCHEMBL20997175 0.82 PROKR1 (0.41) TRPV1PROKR1MAPTFAAHKDM4E
SCHEMBL21061311 0.80 PROKR1 (0.51) TRPV1PROKR1MAPTMEN1KMT2A
SCHEMBL15537076 0.79 SRD5A2 (0.51) PROKR1MAPTKMT2A
SCHEMBL20996938 0.79 PROKR1 (0.47) TRPV1PROKR1CYP3A4CYP3A5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 — — 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-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 TRPV1 3515/4885FNTA 3449/4885FNTB 2405/4885

“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.

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