SCHEMBL4483483

SCHEMBL4483483

[CH2]CCCNCCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
CYP1A2 P05177 1/20 0.40
EPHX1 P07099 1/20 0.38
BCHE P06276 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
KDM1A O60341 2/20 0.33

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
SCHEMBL4469305 0.98 SIGMAR1 (0.39) SIGMAR1CYP1A2EPHX1BCHEMAPT
SCHEMBL4485420 0.94 MAPT (0.42) SIGMAR1CYP1A2EPHX1BCHEMAPT
SCHEMBL6965882 0.90 SIGMAR1 (0.55) SIGMAR1CYP1A2EPHX1MAPTHDAC3
SCHEMBL3860888 0.89 SAT1 (0.39) MAPT
SCHEMBL6970482 0.88 SIGMAR1 (0.52) SIGMAR1CYP1A2EPHX1MAPTHDAC3
SCHEMBL4470765 0.87 SIGMAR1 (0.41) SIGMAR1CYP1A2EPHX1BCHEMAPT
SCHEMBL5962273 0.85 SIGMAR1 (0.38) SIGMAR1CYP1A2EPHX1BCHEMAPT
SCHEMBL716430 0.84 SIGMAR1 (0.48) SIGMAR1CYP1A2EPHX1BCHEMAPT
SCHEMBL6973979 0.83 SIGMAR1 (0.47) SIGMAR1CYP1A2EPHX1BCHEHDAC3
SCHEMBL735850 0.81 SAT1 (0.45) SIGMAR1EPHX1HDAC3HDAC4HDAC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SIGMAR1 129/4885CYP1A2 720/4885EPHX1 659/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SIGMAR1 129/4885CYP1A2 720/4885EPHX1 659/4885

“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.