SCHEMBL10284554

SCHEMBL10284554

Bc1cccc(CC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ GABRA1 P14867 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ PNMT P11086 1/20 0.42
▸ TAAR1 Q96RJ0 4/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 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
SCHEMBL14230249 0.85 PNMT (0.60) HTR2AHTR2BHTR2CPNMTTAAR1
SCHEMBL8539519 0.84 GABRA1 (0.50) HTR2AHTR2BHTR2CGABRA1GABRB2
SCHEMBL26054333 0.79 OPRM1 (0.44) HTR2AHTR2BHTR2CTAAR1SLC6A2
SCHEMBL2623871 0.78 TAAR1 (0.50) HTR2AHTR2BHTR2CTAAR1SLC6A2
SCHEMBL28161128 0.77 CTSS (0.48) HTR2AHTR2BHTR2CGABRA1GABRB2
SCHEMBL9248105 0.76 HTR2A (0.44) HTR2AHTR2BHTR2CGABRA1GABRB2
SCHEMBL598282 0.76 TAAR1 (0.52) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL23665723 0.75 CA2 (0.44) LMNAMAPTOPRK1
SCHEMBL8046780 0.75 — —
SCHEMBL22508191 0.74 GABRA1 (0.42) HTR2AHTR2BHTR2CGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 — — EP disclosed
US-20210221843-A1 EPHA2 AGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-22 — — US disclosed
US-20150045436-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2015-02-12 — — US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — 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 (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-20210221843-A1 EPHA2 AGONISTS AND USES THEREOF EPHA2, EPHB2, EPHA6 HTR2A 975/4885HTR2B 1208/4885HTR2C 1523/4885
US-20150045436-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 HTR2A 1675/4885HTR2B 1522/4885HTR2C 781/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 HTR2A 3518/4885HTR2B 3910/4885HTR2C 3649/4885

“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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