SCHEMBL6104432

SCHEMBL6104432

O=[C]NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
HTR2A P28223 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH1 P35367 3/20 0.39
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38
AOC3 Q16853 4/20 0.38
LMNA P02545 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
BCAT2 O15382 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL4723215 0.84 CNR2 (0.49) KDM4EL3MBTL1LMNAMEN1KMT2A
SCHEMBL2073609 0.81 TAAR1 (0.57) TAAR1RAB9AAOC3MEN1KMT2A
SCHEMBL9853050 0.79 SLC6A4 (0.54)
SCHEMBL8196236 0.78 HRH1 (0.55) HTR2AHRH1LMNAMTNR1AMTNR1B
SCHEMBL15904064 0.78 CYP2C19 (0.49) RAB9ALMNABCAT2
SCHEMBL8008005 0.77 GRIN1 (0.45) GRIN1GRIN2AHTR2ATAAR1KDM4E
SCHEMBL9852959 0.77 MTNR1A (0.57) MTNR1AMTNR1BCYP3A4
SCHEMBL27396353 0.75 EPHX1 (0.54) RAB9AAOC3LMNABCAT2MEN1
SCHEMBL27468983 0.73 BCAT2 (0.46) KDM4ELMNABCAT2MEN1KMT2A
SCHEMBL27418259 0.73 LMNA (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
US-20060004062-A1 Compounds for inhibiting insulin secretion and methods related thereto MITOKOR (US) 2006-01-05 US disclosed
US-6958352-B2 Compounds for inhibiting insulin secretion and methods related thereto SMITHKLINE BEECHAM CORPORATION (US) 2005-10-25 US disclosed
EP-1472214-A2 COMPOUNDS FOR INHIBITING INSULIN SECRETION AND METHODS RELATED THERETO SmithKline Beecham Corporation (US) 2004-11-03 EP disclosed
CN-1494592-A Nucleic acid expressed in hypothalamus or muscle tissue in obese animals ���и��о��ɷ����޹�˾ 2004-05-05 CN disclosed
US-20040044049-A1 Compounds for inhibiting insulin secretion and methods related thereto MITOKOR 2004-03-04 US disclosed
WO-2003066035-A2 COMPOUNDS FOR INHIBITING INSULIN SECRETION AND METHODS RELATED THERETO SMITHKLINE BEECHAM CORPORATION (US) 2003-08-14 WO disclosed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP 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-20060004062-A1 Compounds for inhibiting insulin secretion and methods related thereto IAPP, GPR119, INSR GRIN1 815/4885GRIN2A 2095/4885HTR2A 1236/4885
US-20040044049-A1 Compounds for inhibiting insulin secretion and methods related thereto IAPP, GPR119, IRS1 GRIN1 566/4885GRIN2A 1845/4885HTR2A 1118/4885

“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.