SCHEMBL3240233

SCHEMBL3240233

CCN(C)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IGLV6-57 P01721 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRA2A P08913 1/20 0.39

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
Hydrochloric Acid SCHEMBL7764748 0.82 SIGMAR1 (0.46) CYP2A6CYP1A2SIGMAR1HTTNPSR1
SCHEMBL25971429 0.82 SIGMAR1 (0.44) CYP2A6CYP1A2SIGMAR1HTTNPSR1
SCHEMBL27248627 0.81 BCHE (0.50) CYP2A6CYP1A2SIGMAR1
SCHEMBL11438494 0.81 TERT (0.59) CYP2A6CYP1A2SIGMAR1L3MBTL1TDP1
SCHEMBL29919654 0.81 TERT (0.59) CYP2A6CYP1A2SIGMAR1L3MBTL1TDP1
SCHEMBL17268809 0.81 IGLV6-57 (0.47) L3MBTL1TDP1IGLV6-57CYP3A4ADRA2A
SCHEMBL10360408 0.81 CYP2A6 (0.48) CYP2A6CYP1A2SIGMAR1HTTNPSR1
SCHEMBL21533676 0.81 SIGMAR1 (0.45) CYP2A6CYP1A2SIGMAR1HTTL3MBTL1
SCHEMBL14099744 0.81 HTR1D (0.38) CYP2A6CYP1A2SIGMAR1SLC6A4IGLV6-57
SCHEMBL10000460 0.80 LMNA (0.45) CYP2A6L3MBTL1TDP1IGLV6-57SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020218297-A1 POLYMETHINE COMPOUND 株式会社ADEKA 2020-10-29 WO disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8872422-B2 Dinaphthyl ethylene derivativce, process for preparing it, film prepared from it, and OLED including the film TSINGHUA UNIVERSITY (CN) 2014-10-28 US disclosed
US-8872422-B2 Dinaphthyl ethylene derivativce, process for preparing it, film prepared from it, and OLED including the film TSINGHUA UNIVERSITY (CN) 2014-10-28 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films TSINGHUA UNIVERSITY (CN) 2008-09-11 US disclosed
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films TSINGHUA UNIVERSITY (CN) 2008-09-11 US disclosed
EP-0999220-B1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC (US) 2007-05-02 EP disclosed
US-7094869-B2 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-08-22 US disclosed
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-03-23 US disclosed
US-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. 2003-07-24 US disclosed
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES SOMERS TODD C (US) 2002-08-15 US disclosed
EP-0792289-B1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH INC (US) 2000-07-12 EP disclosed
EP-0999220-A2 Low molecular weight peptidomimetic growth hormone secretagogues Genentech, Inc. (US) 2000-05-10 EP disclosed
US-6034216-A Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC. (US) 2000-03-07 US disclosed
US-5798337-A USED TO PROMOTE GROWTH IN MAMMALS EITHER ALONE OR IN COMBINATION WITH OTHER GROWTH PROMOTING COMPOUNDS GENENTECH, INC. (US) 1998-08-25 US disclosed
EP-0792289-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1997-09-03 EP disclosed
WO-1996015148-A2 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1996-05-23 WO disclosed
US-4097524-A Process for the preparation of formamides ATLANTIC RICHFIELD COMPANY (US) 1978-06-27 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 (5 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-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 CYP2A6 4728/4885CYP1A2 4721/4885SIGMAR1 3742/4885
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, IGFBP1 CYP2A6 4728/4885CYP1A2 4721/4885SIGMAR1 3742/4885
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 CYP2A6 4726/4885CYP1A2 4713/4885SIGMAR1 3884/4885
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films EED, DDT, RABL6 CYP2A6 1744/4885CYP1A2 3092/4885SIGMAR1 3324/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 CYP2A6 3857/4885CYP1A2 4122/4885SIGMAR1 386/4885

“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.