SCHEMBL13248372

SCHEMBL13248372

CCCN(CCCc1ccc(F)cc1)Cc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ KCNH2 Q12809 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL13248373 0.89 TAAR1 (0.47) BCHEKCNH2POLBAPEX1TDP1
SCHEMBL3113481 0.87 MAPT (0.64) BCHEHRH3MAPTMCHR1
SCHEMBL14884505 0.84 BCHE (0.49) BCHEHRH3MAPTMCHR1
SCHEMBL14640185 0.83 HRH3 (0.69) HRH3POLBAPEX1TDP1MAPT
Water SCHEMBL31499000 0.82 KCNH2 (0.54) BCHEKCNH2
SCHEMBL20287494 0.82 HRH3 (0.72) BCHEHRH3KCNH2MAPT
SCHEMBL14882503 0.81 BCHE (0.51) BCHEHRH3MCHR1
SCHEMBL23394977 0.79 KCNH2 (0.55) BCHEKCNH2
SCHEMBL3118612 0.79 TAAR1 (0.52) BCHEKCNH2
SCHEMBL28783183 0.78 MAPT (0.69) BCHEHRH3KCNH2MAPTMCHR1

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-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

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 BCHE 2920/4885HRH3 257/4885KCNH2 2763/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 BCHE 3231/4885HRH3 266/4885KCNH2 2802/4885

“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.

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