SCHEMBL30516361

SCHEMBL30516361

FC(F)(F)c1cc2c(N3CCNCC3)cccc2n1Cc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 4/20 0.41
HPGD P15428 3/20 0.41
DRD4 P21917 4/20 0.40
DRD3 P35462 3/20 0.40
CDK4 P11802 1/20 0.40
CDK6 Q00534 1/20 0.40
HTR6 P50406 3/20 0.39
USP2 O75604 4/20 0.39
TP53 P04637 4/20 0.39
CYP2C9 P11712 4/20 0.39
CASP1 P29466 4/20 0.39
CYP2C19 P33261 4/20 0.39
CASP7 P55210 4/20 0.39
HIF1A Q16665 4/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 3/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL21291589 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4CYP2D6HPGD
Hydrochloric Acid SCHEMBL30516371 0.99 ALDH1A1 (0.40) CYP1A2ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL30516352 0.88 DRD4 (0.43) CYP1A2ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL21291611 0.88 DRD4 (0.43) CYP1A2ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL28509589 0.84 DRD4 (0.39) ALDH1A1DRD4DRD3TP53HSD17B10
SCHEMBL21291594 0.83 NCF1 (0.39) CYP1A2ALDH1A1CYP2D6HPGDHTR6
SCHEMBL30516348 0.83 NCF1 (0.39) CYP1A2ALDH1A1CYP2D6HPGDHTR6
SCHEMBL21291621 0.83 NCF1 (0.43) CYP1A2ALDH1A1CYP2D6HPGDHTR6
SCHEMBL30516360 0.83 NCF1 (0.43) CYP1A2ALDH1A1CYP2D6HPGDHTR6
SCHEMBL21291610 0.82 HTR6 (0.55) CYP1A2ALDH1A1CYP2D6HPGDHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319682-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2025-06-03 US claimed
CN-112041300-B Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists 阿达梅德制药公司 2023-07-28 CN claimed
US-12319682-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2025-06-03 US disclosed
US-20240287056-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT 2A AND 5-HT6 RECEPTOR ANTAGONISTS Adamed Pharma S.A (PL) 2024-08-29 US disclosed
US-11981668-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2024-05-14 US disclosed
CN-112041300-B Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists 阿达梅德制药公司 2023-07-28 CN 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 (3 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-12319682-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists HTR2A, HTR6, HTR2C CYP1A2 157/4885ALDH1A1 505/4885CYP3A4 493/4885
US-11981668-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists HTR2A, HTR2C, HTR6 CYP1A2 169/4885ALDH1A1 488/4885CYP3A4 382/4885
US-20240287056-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT 2A AND 5-HT6 RECEPTOR ANTAGONISTS HTR2A, HTR6, HTR2C CYP1A2 151/4885ALDH1A1 533/4885CYP3A4 410/4885

“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.