SCHEMBL4044709

SCHEMBL4044709

C[C@@H]1CNCc2cc3cc(Cl)c(Cl)cc3n21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR2C P28335 10/20 0.34
HTR2A P28223 7/20 0.34
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
HTR2B P41595 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
SCHEMBL4044712 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
Hydrochloric Acid SCHEMBL4041758 0.98 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
Hydrochloric Acid SCHEMBL4041767 0.98 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4043084 0.90 HTR2C (0.35) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4043381 0.90 HTR2C (0.35) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4039422 0.88 HTR2A (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4039430 0.88 HTR2A (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4042025 0.84 HTR2A (0.32) HTR2CHTR2A
SCHEMBL4042031 0.84 HTR2A (0.32) HTR2CHTR2A
SCHEMBL5357231 0.82 HTR2C (0.55) SLC6A2SLC6A4SLC6A3HTR2CHTR2A

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 5 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
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 SLC6A2 323/4885SLC6A4 519/4885SLC6A3 330/4885

“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.