SCHEMBL17871709

SCHEMBL17871709

Cc1ccc(C(N)c2ccccc2)c(N2CCCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KCNQ2 O43526 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ KCNA5 P22460 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR3A P46098 1/20 0.36

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
SCHEMBL17871807 1.00 NCF1 (0.40) NCF1GAAKEAP1HPGDKCNQ2
SCHEMBL17871743 0.99 HPGD (0.40) NCF1GAAKEAP1HPGDKCNQ2
SCHEMBL19665139 0.87 HTR1A (0.45) NCF1GAAMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL17871774 0.87 ALDH1A1 (0.41) NCF1GAAKEAP1HPGDKCNQ2
SCHEMBL23589261 0.86 NCF1 (0.43) NCF1GAAHPGDKCNQ2SMN1; SMN2
Hydrochloric Acid SCHEMBL17871739 0.86 HTR1A (0.46) NCF1GAAMAPTTP53SMN1; SMN2
SCHEMBL19665157 0.85 SMN1; SMN2 (0.36) HPGDMAPTTP53SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL19665110 0.85 NCF1 (0.42) NCF1HPGDKCNQ2SMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL21081750 0.84 SMN1; SMN2 (0.35) HPGDMAPTTP53SMN1; SMN2NPSR1
SCHEMBL17871869 0.83 KEAP1 (0.39) NCF1GAAKEAP1KCNQ2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 — — EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 — — US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 — — US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 — — EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 — — 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA NCF1 1047/4885GAA 2392/4885KEAP1 1098/4885

“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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