SCHEMBL13337467

SCHEMBL13337467

CN(C)CCc1ccc([PH](=O)c2ccc(CCN(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.59
▸ TAAR1 Q96RJ0 6/20 0.55
▸ CHRNA7 P36544 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ AOC3 Q16853 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL18762839 0.82 HRH3 (0.84) HRH3TAAR1CHRNA7KCNH2AOC3
SCHEMBL28906274 0.76 CA2 (0.47) ALDH1A1MAPTKMT2A
SCHEMBL3057063 0.73 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2AOC3
SCHEMBL3046909 0.73 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2CYP1A2
SCHEMBL3059072 0.73 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2AOC3
SCHEMBL1975214 0.73 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2ALDH1A1
SCHEMBL26355428 0.72 HRH3 (0.61) HRH3TAAR1CHRNA7KCNH2AOC3
SCHEMBL31189352 0.72 ALDH1A1 (0.52) ALDH1A1TP53
SCHEMBL10262063 0.71 HRH3 (0.67) HRH3TAAR1ALDH1A1
SCHEMBL189454 0.71 HRH3 (0.67) HRH3TAAR1AOC3SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 — — US disclosed
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 — — US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 — — US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 — — US disclosed
US-8410247-B2 Water-soluble phosphinothiol reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 — — US disclosed
US-8410247-B2 Water-soluble phosphinothiol reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 — — US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 — — US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 — — US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 — — US disclosed
US-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 — — 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 (3 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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE HRH3 2078/4885TAAR1 1615/4885CHRNA7 1867/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE HRH3 2078/4885TAAR1 1615/4885CHRNA7 1867/4885
US-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS PTMS, PHOSPHO1, ACP1 HRH3 3184/4885TAAR1 840/4885CHRNA7 4789/4885

“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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