SCHEMBL5254331

SCHEMBL5254331

[CH2]Cc1c(OCCC)cccc1OCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
KCNH2 Q12809 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL677743 0.90 CYP1A2 (0.53) MCHR1CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL2924043 0.88 MCHR1 (0.47) MCHR1CYP1A2CYP2C9CYP2C19CHRM2
SCHEMBL5250566 0.80 ALDH1A1 (0.41) MCHR1CHRM2MEN1KMT2ALMNA
SCHEMBL3941335 0.79 MCHR1 (0.49) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL677831 0.79 MCHR1 (0.49) MCHR1KDM4EALDH1A1TP53POLB
SCHEMBL2844425 0.79 MCHR1 (0.41) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL16960702 0.79 MCHR1 (0.41) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL3200502 0.78 L3MBTL1 (0.52) CYP1A2CYP2C9CYP2C19TSHRKCNH2
Hydrochloric Acid SCHEMBL10351928 0.78 CSNK2A1 (0.49) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19
1,2-Dipropoxybenzene SCHEMBL29428926 0.77 CYP1A2 (0.56) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MCHR1 3547/4885CYP2A6 978/4885CYP1A2 665/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A MCHR1 2968/4885CYP2A6 855/4885CYP1A2 558/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A MCHR1 2146/4885CYP2A6 997/4885CYP1A2 397/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 MCHR1 3667/4885CYP2A6 819/4885CYP1A2 174/4885

“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.