SCHEMBL4042038

SCHEMBL4042038

Cc1ccc2cc3n(c2c1)[C@H](CO)CNC3

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMO O15229 1/20 0.32
AKR1C3 P42330 1/20 0.30
LMNA P02545 1/20 0.30
VCP P55072 1/20 0.30

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
SCHEMBL4042043 1.00 HTR2A (0.33) HTR2AHTR2CMAPTRXFP1KMO
SCHEMBL4043284 0.81 KCNH2 (0.36) HTR2C
SCHEMBL4043286 0.81 KCNH2 (0.36) HTR2C
SCHEMBL4049664 0.80 HTR2C (0.38) HTR2AHTR2CMAPTRXFP1
SCHEMBL4049671 0.80 HTR2C (0.38) HTR2AHTR2CMAPTRXFP1
Hydrochloric Acid SCHEMBL4043022 0.79 HTR2C (0.37) HTR2AHTR2CMAPTRXFP1
Hydrochloric Acid SCHEMBL4043013 0.79 HTR2C (0.37) HTR2AHTR2CMAPTRXFP1
SCHEMBL4039429 0.73 ADRA2A (0.35) HTR2AHTR2C
SCHEMBL4039593 0.73 HTR2A (0.48) HTR2AHTR2C
SCHEMBL4039597 0.73 HTR2A (0.48) HTR2AHTR2C

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-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 claimed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2A 140/4885HTR2C 158/4885MAPT 2391/4885

“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.