SCHEMBL1897597

SCHEMBL1897597

Clc1c[c]ccc1N1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A3 P47895 1/20 0.41
KEAP1 Q14145 1/20 0.38
MAPK1 P28482 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.36
NSD2 O96028 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHKA P35790 1/20 0.36
S100B P04271 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL4430996 1.00 ALDH1A1 (0.47) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL4880816 0.98 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL2125041 0.81 MAPT (0.50) ALDH1A1POLBKDM4ELMNAHTT
SCHEMBL4113163 0.81 DRD2 (0.51) ALDH1A1POLBL3MBTL1KDM4EHTT
SCHEMBL27586331 0.81 LGMN (0.40) ALDH1A1POLBL3MBTL1KDM4EHPGD
SCHEMBL4485709 0.80 CHRM1 (0.37) ALDH1A1L3MBTL1KDM4ELMNAHTT
SCHEMBL28379792 0.78 KEAP1 (0.55) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL14940417 0.78 ALDH1A3 (0.45) ALDH1A1POLBL3MBTL1LMNAHTT
SCHEMBL1899796 0.78 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL1899800 0.78 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489660-A1 Methods for making central nervous system agents that are TRPV1 antagonists Abbott Laboratories (US) 2012-08-22 EP disclosed
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
EP-2323989-A2 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-05-25 EP disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
WO-2009117626-A2 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-09-24 WO disclosed
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 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 (3 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-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 ALDH1A1 499/4885POLB 4630/4885L3MBTL1 4325/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 ALDH1A1 256/4885POLB 3118/4885L3MBTL1 4084/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 ALDH1A1 298/4885POLB 3018/4885L3MBTL1 4207/4885

“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.