SCHEMBL7079848

SCHEMBL7079848

CN1CC[C@H](Cc2ccccc2)[C@@H](C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TACR3 P29371 1/20 0.46

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
SCHEMBL7806032 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TACR3
SCHEMBL7078988 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TACR3
SCHEMBL14948183 0.86 S1PR1 (0.42)
Hydrochloric Acid SCHEMBL11682217 0.83 TACR3 (0.44) TACR3
SCHEMBL13957381 0.82 KCNH2 (0.51)
SCHEMBL13389892 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL13389894 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL11680088 0.78 L3MBTL1 (0.50)
SCHEMBL23235646 0.77 GRM2 (0.44)
SCHEMBL16838115 0.77 SLC18A3 (0.47)

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 3 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

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 SLC6A2 258/4885SLC6A4 631/4885SLC6A3 85/4885

“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.