SCHEMBL3933607

SCHEMBL3933607

CCCCOc1cccc(OCCCC)c1CN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MCHR1 Q99705 3/20 0.50
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TLR8 Q9NR97 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1B P28222 2/20 0.42
GLA P06280 1/20 0.41

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
Hydrochloric Acid SCHEMBL10351357 0.98 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MCHR1MEN1
SCHEMBL3941335 0.90 MCHR1 (0.49) CYP1A2CYP2C9CYP2C19MCHR1MEN1
Hydrochloric Acid SCHEMBL10351928 0.88 CSNK2A1 (0.49) CYP1A2CYP2C9CYP2C19MCHR1MEN1
SCHEMBL16814967 0.83 SMN1; SMN2 (0.44) CYP1A2CYP2C9CYP2C19MCHR1MEN1
SCHEMBL6702435 0.82 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19MCHR1MEN1
SCHEMBL27968028 0.82 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19MCHR1HTR1B
SCHEMBL7921354 0.81 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19MCHR1MEN1
SCHEMBL3934756 0.81 AOC3 (0.61) CYP1A2CYP2C19MEN1CYP3A4MAPT
SCHEMBL677743 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MCHR1MEN1
Hydrochloric Acid SCHEMBL10352250 0.79 AOC3 (0.62) MEN1CYP3A4MAPTHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4888283-A Selective inhibitors of benzylaminoxidases with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1989-12-19 US claimed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (7 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB CYP1A2 4127/4885CYP2C9 4758/4885CYP2C19 4707/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP1A2 4379/4885CYP2C9 4297/4885CYP2C19 4466/4885
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP1A2 3793/4885CYP2C9 4093/4885CYP2C19 4516/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP1A2 3378/4885CYP2C9 4488/4885CYP2C19 4513/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP1A2 4335/4885CYP2C9 4242/4885CYP2C19 4266/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP1A2 4379/4885CYP2C9 4297/4885CYP2C19 4466/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP1A2 4852/4885CYP2C9 4763/4885CYP2C19 4870/4885

“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.