SCHEMBL6853045

SCHEMBL6853045

CN(Cc1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 2/20 0.35
TACR1 P25103 3/20 0.35
MTTP P55157 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MLNR O43193 4/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP3A4 P08684 3/20 0.34
HTR3A P46098 2/20 0.33
KCNH2 Q12809 2/20 0.33
ADAMTS7 Q9UKP4 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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 0.85 CCR1 (0.40) SCN9ASLC6A4SLC6A2TACR1
SCHEMBL6852889 0.79 NLN (0.43) SLC6A4HTR3AKCNH2ADRA2AADRA2B
SCHEMBL6851053 0.78 POLB (0.46) SLC6A4HTR3AKCNH2ADRA2AADRA2B
SCHEMBL6849663 0.76 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL6846872 0.76 ADRA1A (0.40) SLC6A4HTR3AKCNH2ADRA2AADRA2B
SCHEMBL6846933 0.75 S1PR1 (0.37) TACR1OPRK1
SCHEMBL6851354 0.73 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL6849689 0.72 HSD11B1 (0.42) SLC6A4HTR3AKCNH2ADRA2AADRA2B
SCHEMBL6849717 0.70 P2RX7 (0.45) KCNH2
SCHEMBL6849643 0.69 KDM4E (0.44) SLC6A4HTR3AKCNH2ADRA2AADRA2B

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 SCN9A 2335/4885SLC6A4 841/4885SLC6A2 830/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SCN9A 2335/4885SLC6A4 841/4885SLC6A2 830/4885

“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.