SCHEMBL6852828

SCHEMBL6852828

O=C(Cc1ccc(OC(F)(F)F)cc1)NCCC1CCc2[nH]cnc2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
LTA4H P09960 1/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CHRM4 P08173 10/20 0.42
CHRM2 P08172 2/20 0.38
CHRM1 P11229 1/20 0.38
HTR2C P28335 2/20 0.38
NLRP3 Q96P20 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6849694 0.84 EPHX2 (0.47) EPHX2LTA4HCCNA2CDK2CCNA1
SCHEMBL6849619 0.77 HTR2C (0.57) EPHX2HTR2C
SCHEMBL6967165 0.77 KDM1A (0.39)
SCHEMBL6851396 0.73 MCHR1 (0.46) EPHX2
SCHEMBL6849677 0.69 L3MBTL1 (0.43) EPHX2KMT2A
Hydrochloric Acid SCHEMBL6851033 0.68 L3MBTL1 (0.42) EPHX2KMT2A
SCHEMBL6847074 0.68 CYP2D6 (0.43) EPHX2HTR2C
SCHEMBL6847066 0.68 CYP2D6 (0.43) EPHX2HTR2C
SCHEMBL6849680 0.66 LMNA (0.56) EPHX2CDK2KMT2A
Hydrochloric Acid SCHEMBL6961742 0.66 ADRA1A (0.37)

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 EPHX2 1125/4885LTA4H 415/4885CCNA2 3243/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 EPHX2 1125/4885LTA4H 415/4885CCNA2 3243/4885

“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.