SCHEMBL6852889

SCHEMBL6852889

CN(Cc1cccc2ccccc12)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.43
METAP2 P50579 6/20 0.42
HTR3A P46098 2/20 0.41
METAP1 P53582 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2C P28335 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
SCHEMBL6851053 0.83 POLB (0.46) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851354 0.82 SLC6A4 (0.41) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6849663 0.82 SLC6A4 (0.41) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6849720 0.81 HTR1B (0.45) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6853045 0.79 SCN9A (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851375 0.76 HTR3A (0.53) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6846989 0.76 SIGMAR1 (0.48) KDM4ESIGMAR1
SCHEMBL6850897 0.75 CCR1 (0.40) SLC6A4
SCHEMBL3187304 0.72 HTR3A (0.38) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL9048262 0.71 HTR3A (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4

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 NLN 2200/4885METAP2 1855/4885HTR3A 53/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 NLN 2200/4885METAP2 1855/4885HTR3A 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.