SCHEMBL7079965

SCHEMBL7079965

CCC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.56
HTR3A P46098 1/20 0.50
REN P00797 2/20 0.47
SCN5A Q14524 1/20 0.41
FPR1 P21462 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL7079969 1.00 SLC6A3 (0.56) SLC6A3HTR3ARENSCN5AFPR1
Hydrochloric Acid SCHEMBL7084155 0.98 SLC6A3 (0.55) SLC6A3HTR3ARENSCN5AFPR1
Hydrochloric Acid SCHEMBL7084158 0.98 SLC6A3 (0.55) SLC6A3HTR3ARENSCN5AFPR1
SCHEMBL7850673 0.81 HTR3A (0.53) SLC6A3HTR3AREN
SCHEMBL27970060 0.78 HTR3A (0.43) HTR3ARENSCN5AFPR1SCN9A
SCHEMBL7443154 0.78 HTR3A (0.41) SLC6A3HTR3AREN
SCHEMBL27970186 0.77 FPR1 (0.48) HTR3ARENFPR1
SCHEMBL18633599 0.76 HTR3A (0.58) SLC6A3HTR3ARENFPR1
SCHEMBL7906096 0.72 HTR3A (0.58) SLC6A3HTR3ARENFPR1
SCHEMBL4659995 0.72 HTR3A (0.58) SLC6A3HTR3ARENFPR1

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
US-6605621-B1 Safe and effective detoxification after treating drug addiction, or diseases wherein cocaine is administered GEORGETOWN UNIVERSITY 2003-08-12 US disclosed
US-20030144289-A1 Monomeric and dimeric heterocycles, and therapeutic uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-31 US disclosed
US-6440996-B1 Monomeric and dimeric heterocycles, and therapeutic uses thereof GEORGETOWN UNIVERSITY 2002-08-27 US disclosed
EP-1119553-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2001-08-01 EP disclosed
WO-2000020390-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2000-04-13 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-20030144289-A1 Monomeric and dimeric heterocycles, and therapeutic uses thereof HAX1, MLX, XDH SLC6A3 85/4885HTR3A 389/4885REN 1356/4885

“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.