SCHEMBL4049671

SCHEMBL4049671

Cc1ccc2cc3n(c2c1)C(C)CNC3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 1/20 0.38
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
RPS6KA2 Q15349 3/20 0.31

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
SCHEMBL4049664 1.00 HTR2C (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4043022 0.98 HTR2C (0.37) HTR2CHTR2AHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL4043013 0.98 HTR2C (0.37) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4041038 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4041046 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL906087 0.84 HTR2C (0.55) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL906089 0.84 HTR2C (0.55) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4041138 0.84 HTR2A (0.36) HTR2CHTR2AHTR2B
SCHEMBL4041144 0.84 HTR2A (0.36) HTR2CHTR2AHTR2B
SCHEMBL5357231 0.84 HTR2C (0.55) HTR2CHTR2AHTR2BCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 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 (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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2C 158/4885HTR2A 140/4885HTR2B 366/4885

“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.