SCHEMBL1882995

SCHEMBL1882995

CCB(CC)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNA1 Q09470 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20312287 0.73 LOXL2 (0.37) LOXL2
SCHEMBL333263 0.72 PCSK9 (0.43) CYP3A4ALDH1A1CYP1A2LMNAMEN1
SCHEMBL297677 0.72 CHRNB2 (0.44) CYP2D6CYP3A4ALDH1A1CYP2C19CYP1A2
SCHEMBL29408427 0.72 CHRNB2 (0.44) CYP2D6CYP3A4ALDH1A1CYP2C19CYP1A2
SCHEMBL11247295 0.70 CA2 (0.48) ALDH1A1CYP1A2LMNAMAPTMEN1
SCHEMBL11907695 0.69
SCHEMBL14983467 0.69 KMT2A (0.35) CYP2D6CYP3A4ALDH1A1CYP2C19CYP1A2
SCHEMBL7078619 0.69 SMN1; SMN2 (0.36) CYP2D6CYP3A4ALDH1A1CYP2C19CYP1A2
SCHEMBL20312299 0.68 CYP19A1 (0.31)
SCHEMBL14421513 0.67 LMNA (0.47) CYP2D6CYP3A4ALDH1A1CYP2C19CYP1A2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate TOKYO OHKA KOGYO CO, LTD. (JP) 2019-12-10 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
US-8647827-B2 Fluorescent substrates for neurotransmitter transporters VANDERBILT UNIVERSITY (US) 2014-02-11 US disclosed
US-8647827-B2 Fluorescent substrates for neurotransmitter transporters VANDERBILT UNIVERSITY (US) 2014-02-11 US disclosed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-20110229910-A1 Fluorescent Substrates for Neurotransmitter Transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
US-20110229910-A1 Fluorescent Substrates for Neurotransmitter Transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
US-20110229910-A1 Fluorescent Substrates for Neurotransmitter Transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
US-7947255-B2 Exposing cell or extract to 4-(4-(dimethylamino)phenyl)-1-methylpyridinium iodide; high speed screening; kits VANDERBILT UNIVERSITY (US) 2011-05-24 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
US-6060487-A Indanol compounds ADIR ET COMPAGNIE (FR) 2000-05-09 US disclosed
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP disclosed
EP-0906912-A1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-04-07 EP disclosed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 WO disclosed
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
EP-0636129-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS Pfizer Limited (GB) 1995-02-01 EP disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO 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-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 CYP2D6 1872/4885CYP3A4 2433/4885ALDH1A1 2704/4885
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate SLC43A1, SAMHD1, SNRPD2 CYP2D6 1872/4885CYP3A4 2433/4885ALDH1A1 2704/4885

“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.