SCHEMBL5373710

SCHEMBL5373710

Cc1cc(C)n(Cc2cc(-c3cccnc3)n(C3CCCCC3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 5/20 0.44
KCNJ3 P48549 5/20 0.44
KCNJ5 P48544 4/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PIK3CD O00329 3/20 0.41
KCNH2 Q12809 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGS2 P35354 1/20 0.38
HTR6 P50406 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
SCHEMBL5365072 0.76 NPC1 (0.52) PTGS2
SCHEMBL1194848 0.70 PIK3CD (0.40) PIK3CD
SCHEMBL1194850 0.70 CYP1A2 (0.43)
SCHEMBL17970770 0.66 DRD2 (0.51) KCNJ6KCNJ3KCNJ5DRD2DRD4
SCHEMBL31462462 0.64 ALDH1A1 (0.49) KCNJ6KCNJ3KCNJ5
SCHEMBL3364096 0.64 ALDH1A1 (0.49) KCNJ6KCNJ3KCNJ5
SCHEMBL23748795 0.62 KDM4E (0.46) KCNJ6KCNJ3KCNJ5DRD2DRD4
SCHEMBL5443802 0.62 ALDH1A1 (0.50)
SCHEMBL22133076 0.62 DRD2 (0.46) KCNJ6KCNJ3KCNJ5DRD2DRD4
SCHEMBL22133157 0.62 DRD2 (0.46) KCNJ6KCNJ3KCNJ5DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2007-07-19 US disclosed
US-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP disclosed
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-03-06 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-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 KCNJ6 2255/4885KCNJ3 2619/4885KCNJ5 2612/4885
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 KCNJ6 2260/4885KCNJ3 2575/4885KCNJ5 2587/4885

“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.