SCHEMBL6846933

SCHEMBL6846933

CN(CCc1cccc(C(F)(F)F)c1)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 1/20 0.36
EPHX1 P07099 1/20 0.36
PKM P14618 1/20 0.36
NR3C2 P08235 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
SCHEMBL6850897 0.81 CCR1 (0.40) KMT2ATACR1
SCHEMBL6847118 0.79 KDM4E (0.52) KMT2AALDH1A1
SCHEMBL6851053 0.77 POLB (0.46) KMT2AOPRK1PKM
SCHEMBL6851076 0.76 MAPK9 (0.36) KMT2AOPRK1ALDH1A1
SCHEMBL6850920 0.74 NPC1 (0.41) KMT2AALDH1A1PKM
SCHEMBL6851354 0.72 SLC6A4 (0.41) OPRK1
SCHEMBL6852889 0.71 NLN (0.43) OPRK1
SCHEMBL6967627 0.70 DRD4 (0.43) TACR1
SCHEMBL6849720 0.70 HTR1B (0.45) KMT2AOPRK1ALDH1A1
SCHEMBL6849717 0.69 P2RX7 (0.45)

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-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
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

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 S1PR1 1267/4885GRK5 119/4885CDK8 408/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 S1PR1 1267/4885GRK5 119/4885CDK8 408/4885

“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.