SCHEMBL31044982

SCHEMBL31044982

CCc1nc(NCCCc2cccc(C(F)(F)F)c2)c2cc(C)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ CASR P41180 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ MLNR O43193 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GLRA1 P23415 1/20 0.43
▸ AVPR2 P30518 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL31044658 0.94 NPC1 (0.41) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL31044650 0.89 ADRA2C (0.44) ADRA2CSLC6A2HTR2CSLC6A4OPRM1
SCHEMBL31045167 0.89 MCHR1 (0.44) KCNH2CTSCTLR8TLR7NPC1
SCHEMBL31044715 0.87 PCSK9 (0.39) CHRM1CHRM3ADRB2SYKNPC1
SCHEMBL20667986 0.86 TLR8 (0.41) CYP2D6TLR8TLR7CYP1A2CYP2C19
SCHEMBL31045157 0.86 MCHR1 (0.42) KCNH2CTSCTLR8TLR7NPC1
SCHEMBL31044738 0.86 NOS3 (0.35) TLR8TLR7NPC1GALR3NR2F2
SCHEMBL31045304 0.86 TAAR1 (0.38) CYP2D6SIGMAR1CYP1A2TSHRCYP2C19
SCHEMBL31045132 0.85 MAPK14 (0.40) TLR8TLR7NPC1GALR3NR2F2
SCHEMBL31044883 0.84 NPC1 (0.36) SLC6A3SYKNPC1GALR3NR2F2

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 ADRA2C 1617/4885SLC6A2 3077/4885HTR2C 4085/4885

“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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