SCHEMBL4039593

SCHEMBL4039593

CC[C@@H]1CNCc2cc3ccc(Cl)cc3n21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
HTR2C P28335 6/20 0.48
HTR2B P41595 2/20 0.35
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DRD2 P14416 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL4039597 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL5358996 0.84 ADRA2A (0.35) HTR2AHTR2C
SCHEMBL4039429 0.84 ADRA2A (0.35) HTR2AHTR2C
SCHEMBL4039541 0.84 ADRA2A (0.35) HTR2AHTR2C
SCHEMBL906087 0.82 HTR2C (0.55) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL906089 0.82 HTR2C (0.55) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL5357231 0.82 HTR2C (0.55) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL5360726 0.74 PIM1 (0.43)
SCHEMBL5351644 0.74 PIM1 (0.43)
SCHEMBL5351654 0.74 PIM1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016126-B1 ANTISEPTIC-CONTAINING SILICONE ELASTOMERS BAYER HEALTHCARE LLC (US) 2017-08-16 EP claimed
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP 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 claimed
EP-1337588-B1 SILICONE RUBBER FORMULATIONS AND THE USE THEREOF MOMENTIVE PERFORMANCE MAT INC (DE) 2009-01-14 EP 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 158/4885HTR2B 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.