SCHEMBL4899564

SCHEMBL4899564

Cc1ccc2c3c(ccc2n1)OC[C@H](CN[C@H]1CCc2c([nH]c4ccccc24)C1)O3

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RB1 P06400 8/20 0.48
▸ HTR1A P08908 12/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ DRD2 P14416 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL4900695 1.00 RB1 (0.48) RB1HTR1ASLC6A4DRD2CYP3A4
SCHEMBL4904593 1.00 RB1 (0.48) RB1HTR1ASLC6A4DRD2CYP3A4
Hydrochloric Acid SCHEMBL4896001 0.99 HTR1A (0.49) RB1HTR1ASLC6A4DRD2CYP3A4
Hydrochloric Acid SCHEMBL4900934 0.99 HTR1A (0.49) RB1HTR1ASLC6A4DRD2CYP3A4
Hydrochloric Acid SCHEMBL4906841 0.99 HTR1A (0.49) RB1HTR1ASLC6A4DRD2CYP3A4
SCHEMBL4905470 0.89 HTR1A (0.46) RB1HTR1ASLC6A4DRD2CYP3A4
SCHEMBL4895948 0.89 HTR1A (0.46) RB1HTR1ASLC6A4DRD2CYP3A4
SCHEMBL5522899 0.89 HTR1A (0.46) RB1HTR1ASLC6A4DRD2CYP3A4
SCHEMBL4898323 0.89 HTR1A (0.46) RB1HTR1ASLC6A4DRD2CYP3A4
Hydrochloric Acid SCHEMBL4904201 0.88 HTR1A (0.46) RB1HTR1ASLC6A4DRD2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 — — EP claimed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 — — US claimed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 — — US claimed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 — — WO claimed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 — — US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 — — US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 — — 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C RB1 3073/4885HTR1A 10/4885SLC6A4 25/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C RB1 3073/4885HTR1A 10/4885SLC6A4 25/4885

“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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