SCHEMBL10677993

SCHEMBL10677993

CN(C)CCCc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.76
AOC3 Q16853 1/20 0.59
SIGMAR1 Q99720 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 2/20 0.50

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
SCHEMBL11134095 0.94 TAAR1 (0.73) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL11382868 0.89 TAAR1 (0.61) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL9670561 0.89 SIGMAR1 (0.64) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL3052863 0.86 TAAR1 (1.00) TAAR1AOC3SIGMAR1HRH3
Hydrochloric Acid SCHEMBL3820258 0.84 TAAR1 (0.95) TAAR1AOC3SIGMAR1HRH3
SCHEMBL9148552 0.82 THRA (0.59) TAAR1
SCHEMBL9671700 0.82 HRH3 (0.74) TAAR1AOC3SIGMAR1KCNH2HRH3
SCHEMBL9671267 0.81 SIGMAR1 (0.75) TAAR1SIGMAR1KCNH2HRH3
SCHEMBL14902842 0.80 ALDH1A1 (0.56) TAAR1SIGMAR1KCNH2HRH3
SCHEMBL19146986 0.80 SIGMAR1 (0.55) TAAR1AOC3SIGMAR1KCNH2HRH3

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-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
US-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 US disclosed
EP-0031885-B1 BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1984-06-27 EP disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 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 (2 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-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 TAAR1 12/4885AOC3 1617/4885SIGMAR1 1/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 TAAR1 15/4885AOC3 2023/4885SIGMAR1 1/4885

“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.