SCHEMBL3138374

SCHEMBL3138374

O=c1n(C2CC2)c2ccccc2n1[C@@H](CCCl)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.72
SLC6A4 P31645 7/20 0.72
C5AR1 P21730 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
OPRL1 P41146 4/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL4634820 1.00 SLC6A2 (0.72) SLC6A2SLC6A4C5AR1ALKBH5OPRL1
SCHEMBL3151314 1.00 SLC6A2 (0.72) SLC6A2SLC6A4C5AR1ALKBH5OPRL1
SCHEMBL3137252 0.95 SLC6A2 (0.73) SLC6A2SLC6A4OPRL1OPRM1OPRK1
SCHEMBL3150562 0.94 SLC6A2 (0.73) SLC6A2SLC6A4OPRL1OPRM1OPRK1
SCHEMBL3138915 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3150595 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3141385 0.84 SLC6A2 (1.00) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3133117 0.83 SLC6A2 (0.98) SLC6A2SLC6A4
SCHEMBL3142462 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRL1
SCHEMBL3142477 0.79 SLC6A2 (1.00) SLC6A2SLC6A4OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US 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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A SLC6A2 9/4885SLC6A4 4/4885C5AR1 2791/4885

“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.