SCHEMBL31245767

SCHEMBL31245767

O=C(N[C@H]1CC[C@H](CCN2CCN3c4cccc5scc(c45)CC3C2)CC1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.49
▸ DRD3 P35462 14/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR2A P28223 2/20 0.42

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
SCHEMBL29323463 1.00 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL29323478 0.99 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL30179327 0.99 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL30179291 0.87 DRD2 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL28967727 0.87 DRD2 (0.54) DRD2DRD3HTR1AHTR2A
SCHEMBL26908463 0.84 DRD2 (0.58) DRD2DRD3HTR1AHTR2A
SCHEMBL29323474 0.83 DRD2 (0.52) DRD2DRD3
SCHEMBL26908476 0.83 DRD2 (0.59) DRD2DRD3HTR1A
SCHEMBL30179191 0.76 DRD2 (0.56) DRD2HTR1A
SCHEMBL28967714 0.76 DRD2 (0.56) DRD2HTR1A

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-20240383913-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2024-11-21 — — 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-20240383913-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TACR1, HTR1F, TPH1 DRD2 52/4885DRD3 198/4885HTR1A 16/4885

“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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