SCHEMBL19665139

SCHEMBL19665139

Cc1ccc(C(N)c2ccccc2)c(N2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.45
▸ HTR3A P46098 2/20 0.45
▸ ADRA2C P18825 1/20 0.43
▸ NCF1 P14598 1/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ HTR2B P41595 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
Hydrochloric Acid SCHEMBL17871739 0.99 HTR1A (0.46) HTR1AHTR3AADRA2CNCF1DRD3
SCHEMBL17871743 0.89 HPGD (0.40) HTR1AHTR3ANCF1OPRM1MEN1
SCHEMBL17871709 0.87 NCF1 (0.40) HTR1AHTR3ANCF1CYP2D6KCNH2
SCHEMBL17871807 0.87 NCF1 (0.40) HTR1AHTR3ANCF1CYP2D6KCNH2
SCHEMBL19665157 0.87 SMN1; SMN2 (0.36) HTR1AHTR3ACHRM1OPRM1MEN1
Hydrochloric Acid SCHEMBL21081750 0.86 SMN1; SMN2 (0.35) HTR1AHTR3ACHRM1OPRM1MEN1
SCHEMBL23589261 0.85 NCF1 (0.43) NCF1SMN1; SMN2GAALMNARXFP1
Hydrochloric Acid SCHEMBL19665110 0.84 NCF1 (0.42) HTR1AHTR3ANCF1MEN1KMT2A
SCHEMBL19665148 0.83 LMNA (0.51) ADRA2CNCF1DRD3CHRM2ADRA2A
Hydrochloric Acid SCHEMBL17871849 0.82 LMNA (0.50) ADRA2CNCF1DRD3CHRM2ADRA2A

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-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

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 HTR1A 4350/4885HTR3A 3993/4885ADRA2C 352/4885

“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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