SCHEMBL6962020

SCHEMBL6962020

N#CC1(c2ccc(Cl)cc2Cl)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40
DRD2 P14416 1/20 0.38
OPRM1 P35372 2/20 0.36
UGCG Q16739 1/20 0.34
PNMT P11086 1/20 0.34
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL838201 0.88 SLC6A4 (0.45) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1
SCHEMBL29457607 0.88 SLC6A4 (0.45) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1
SCHEMBL1194976 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BDRD2OPRM1
SCHEMBL18742609 0.85 SLC6A4 (0.46) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1
SCHEMBL11468178 0.85 SLC6A4 (0.50) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL2780103 0.84 HTR2C (0.38) HTR2CHTR2AHTR2BDRD2OPRM1
SCHEMBL12369419 0.84 HTR2C (0.35) HTR2COPRM1PNMT
SCHEMBL8184370 0.83 SLC6A4 (0.53) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL2272245 0.83 OPRM1 (0.34) HTR2CSLC6A4OPRM1PNMTSLC6A2
SCHEMBL28678474 0.81 SLC6A4 (0.40) SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D HTR2C 1037/4885SLC6A4 960/4885SLC6A3 1173/4885

“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.