SCHEMBL6849663

SCHEMBL6849663

CN(Cc1ccccc1Oc1ccccc1)C(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 6/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3A P46098 2/20 0.35
TSPO P30536 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6851053 0.83 POLB (0.46) SLC6A4ADRA1AMEN1KMT2AKDM4E
SCHEMBL6852889 0.82 NLN (0.43) SLC6A4CYP2D6ADRA1AKDM4EHTR3A
SCHEMBL6851354 0.78 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KDM4EHTR3A
SCHEMBL6846872 0.77 ADRA1A (0.40) SLC6A4ADRA1AMEN1KMT2AHTR3A
SCHEMBL6853045 0.76 SCN9A (0.37) SLC6A4SLC6A2SLC6A3CYP2D6HTR3A
SCHEMBL6849643 0.74 KDM4E (0.44) SLC6A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL6852890 0.73 FAAH (0.45) SLC6A4ALDH1A1HTR3AADRA2AADRA2B
SCHEMBL6849687 0.73 LMNA (0.50) ADRA1AMEN1KMT2AALDH1A1TDP1
SCHEMBL6849720 0.73 HTR1B (0.45) SLC6A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL6850897 0.73 CCR1 (0.40) SLC6A4SLC6A2MEN1KMT2A

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 SLC6A4 841/4885SLC6A2 830/4885SLC6A3 802/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SLC6A4 841/4885SLC6A2 830/4885SLC6A3 802/4885

“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.