SCHEMBL6846989

SCHEMBL6846989

O=C(Cc1cccc2ccccc12)NC1CCc2[nH]cnc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
GSK3B P49841 1/20 0.43
MAPK10 P53779 3/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6852889 0.76 NLN (0.43) SIGMAR1KDM4E
SCHEMBL2751955 0.76 SIGMAR1 (0.70) SIGMAR1CCNA2CDK2CCNA1MEN1
SCHEMBL6849680 0.76 LMNA (0.56) SIGMAR1CDK2GSK3BKMT2ALMNA
SCHEMBL3527966 0.75 SIGMAR1 (0.47) SIGMAR1CCNA2CDK2CCNA1CDK5
SCHEMBL7094424 0.75 MTNR1A (0.49) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2751915 0.74 SIGMAR1 (0.67) SIGMAR1CCNA2CDK2CCNA1CDK5
SCHEMBL3527965 0.73 SIGMAR1 (0.45) SIGMAR1CCNA2CDK2CCNA1CDK5
SCHEMBL2752183 0.72 EPHX1 (0.67) SIGMAR1CCNA2CDK2CCNA1MEN1
SCHEMBL6851375 0.72 HTR3A (0.53) LMNAALDH1A1
SCHEMBL6966793 0.72 ADRA1A (0.41) SIGMAR1

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 6 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
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP 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
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO 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 SIGMAR1 269/4885CCNA2 3243/4885CDK2 637/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SIGMAR1 269/4885CCNA2 3243/4885CDK2 637/4885

“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.