SCHEMBL3700826

SCHEMBL3700826

CN1CCN[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PRCP P42785 1/20 0.35

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
SCHEMBL3700830 1.00 GSK3B (0.46) GSK3BKDM4EGAAMAPTALDH1A1
SCHEMBL3273432 0.83 GSK3B (0.46) GSK3BSLC6A3
SCHEMBL188499 0.83 KDM4E (0.38) GSK3BKDM4EGAAMAPTALDH1A1
SCHEMBL1777416 0.83 GSK3B (0.46) GSK3BMAPTALDH1A1
SCHEMBL3273438 0.83 GSK3B (0.46) GSK3BSLC6A3
SCHEMBL90572 0.82 PDE10A (0.45) GSK3BKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL2910280 0.82 PDE10A (0.45) GSK3BKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL2908444 0.82 PDE10A (0.45) GSK3BKDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL28188737 0.82 HTR2C (0.42) GSK3B
Hydrochloric Acid SCHEMBL10383320 0.81 GSK3B (0.47) GSK3BSLC6A3

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
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — WO 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C GSK3B 1534/4885KDM4E 595/4885GAA 1855/4885

“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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