SCHEMBL6846872

SCHEMBL6846872

CN(CCc1ccccc1Cl)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HTR3A P46098 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
AOC3 Q16853 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6849643 0.81 KDM4E (0.44) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851053 0.80 POLB (0.46) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6852889 0.79 NLN (0.43) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6846933 0.77 S1PR1 (0.37) OPRK1KMT2A
SCHEMBL6849763 0.77 KDM4E (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL6849663 0.77 SLC6A4 (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6851076 0.76 MAPK9 (0.36) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851354 0.75 SLC6A4 (0.41) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6849720 0.74 HTR1B (0.45) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL3187304 0.73 HTR3A (0.38) ADRA1AHTR3AADRA2AADRA2BADRA2C

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 ADRA1A 239/4885TAAR1 76/4885HTR3A 53/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 ADRA1A 239/4885TAAR1 76/4885HTR3A 53/4885

“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.