SCHEMBL7603984

SCHEMBL7603984

c1cn(-c2ccc(OCc3cnn(C4CCNCC4)n3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.51
CYP2C9 P11712 9/20 0.51
CYP3A4 P08684 8/20 0.51
CYP1A2 P05177 6/20 0.51
CYP2C19 P33261 5/20 0.44
CYP19A1 P11511 1/20 0.44
HRH3 Q9Y5N1 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL7605475 0.82 CYP1A2 (0.44) CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3690692 0.82 CYP2D6 (0.45) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL14325206 0.81 CYP19A1 (0.44) CYP19A1CA1CA2CA9
SCHEMBL7585081 0.79 GPR119 (0.43) CYP3A4MAPK1
Hydrochloric Acid SCHEMBL4280159 0.78 GPR119 (0.42) CYP3A4MAPK1
SCHEMBL7605790 0.76 HRH3 (0.39) HRH3LMNAMAPK1
SCHEMBL3687721 0.71 KCNJ1 (0.38)
SCHEMBL4676596 0.71 MMP1 (0.53) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3693396 0.71 KCNJ1 (0.37)
SCHEMBL13955150 0.70 CHRNB2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 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 (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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CYP2D6 792/4885CYP2C9 1425/4885CYP3A4 715/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CYP2D6 792/4885CYP2C9 1425/4885CYP3A4 715/4885

“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.