SCHEMBL6850836

SCHEMBL6850836

CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
KLRK1 P26718 6/20 0.55
MICA Q29983 6/20 0.55
RAET1L Q5VY80 5/20 0.55
MTTP P55157 7/20 0.52
APOB P04114 5/20 0.52
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C8 P10632 1/20 0.49
ADAMTS7 Q9UKP4 1/20 0.48

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
SCHEMBL13485786 0.86 GAA (0.59) GAAKLRK1MICARAET1LMTTP
SCHEMBL14102364 0.86 CDK4 (0.52) GAAMTTPRAB9A
SCHEMBL29971478 0.86 CDK4 (0.52) GAAMTTPRAB9A
SCHEMBL20665433 0.84 GAA (0.57) GAAKLRK1MICARAET1LMTTP
SCHEMBL18806401 0.83 PDK2 (0.51) GAANPC1RAB9AALDH1A1
SCHEMBL14205317 0.83 GAA (0.60) GAAKLRK1MICARAET1LMTTP
SCHEMBL171542 0.82 TRPV1 (0.54) GAAKLRK1MICARAET1LMTTP
SCHEMBL21590157 0.82 SLC6A4 (0.66) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL31393757 0.82 CHRNB2 (0.71) GAAMTTPAPOBNPC1RAB9A
SCHEMBL3223294 0.81 CHRNB2 (0.65) GAAALDH1A1

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-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 GAA 996/4885KLRK1 1094/4885MICA 1021/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 GAA 996/4885KLRK1 1094/4885MICA 1021/4885

“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.