SCHEMBL5119861

SCHEMBL5119861

COc1ccc2cc(C(N)=Nc3ccc(Cl)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.52
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NOS3 P29474 2/20 0.46
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ HGFAC Q04756 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ QRFPR Q96P65 1/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ ACR P10323 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SLC22A2 O15244 1/20 0.42

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
SCHEMBL5127866 0.81 ESR1 (0.51) NPC1RAB9AKMT2ANOS3HTR3E
SCHEMBL5423613 0.78 NOS3 (0.68) NPC1RAB9AKMT2ANOS3HTR3E
SCHEMBL23864974 0.77 KDM4E (0.56) PTGS2RAB9AKDM4EKMT2AHPGD
SCHEMBL15322353 0.73 KDM4E (0.51) NPC1RAB9AKDM4EKMT2ANOS3
SCHEMBL15322356 0.73 KDM4E (0.51) NPC1RAB9AKDM4EKMT2ANOS3
SCHEMBL4517019 0.72 RAB9A (0.55) NPC1RAB9AKMT2ANOS3HTR3E
SCHEMBL16373407 0.72 HPGD (0.56) PTGS2NPC1RAB9AKDM4EKMT2A
SCHEMBL5425354 0.71 RAB9A (0.61) NPC1RAB9AKMT2ANOS3HTR3E
SCHEMBL17396258 0.70 NOS3 (0.49) NPC1RAB9ANOS3HTR3EHTR3B
SCHEMBL11769989 0.70 CYP2D6 (0.66) NPC1RAB9AKDM4EKMT2ANOS3

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-7423149-B2 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2008-09-09 — — US disclosed
EP-1706375-A2 SUBSTITUTED N-ARYL AMIDINES AS SELECTIVE D1 DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND CNS DISORDERS SCHERING CORPORATION (US) 2006-10-04 — — EP disclosed
WO-2005063697-A2 SUBSTITUTED N-ARYL AMIDINES AS SELECTIVE D1 DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND CNS DISORDERS SCHERING CORPORATION (US) 2005-07-14 — — WO disclosed
US-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION 2005-06-23 — — 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 (1 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-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders GPR119, GLP1R, DRD1 PTGS2 4687/4885NPC1 909/4885RAB9A 598/4885

“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.

Send feedback