SCHEMBL2646493

SCHEMBL2646493

C[C@H]1C=C(c2ccc(N)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
HSD17B10 Q99714 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HRH3 Q9Y5N1 5/20 0.32
HRH2 P25021 3/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2646491 1.00 CYP3A4 (0.37) CYP3A4ALDH1A1TDP1TP53NOS3
SCHEMBL11072645 0.73 CHRM2 (0.36) ALDH1A1HRH3MEN1KMT2AKDM4E
SCHEMBL17721309 0.70 CHRNB2 (0.47) CYP3A4ALDH1A1HRH3CYP1A2CYP2C19
SCHEMBL11437496 0.70 CHRNB4 (0.41) TAAR1ACHE
SCHEMBL30349775 0.70
SCHEMBL15689670 0.68 TAS1R3 (0.36)
SCHEMBL14652714 0.67
SCHEMBL15785424 0.66 MAPK11 (0.45) CYP3A4ALDH1A1TDP1TP53HSD17B10
SCHEMBL16871685 0.65
SCHEMBL10669275 0.64 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 2800/4885ALDH1A1 4046/4885TDP1 3060/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP3A4 2800/4885ALDH1A1 4046/4885TDP1 3060/4885

“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.