SCHEMBL1900341

SCHEMBL1900341

[c]1ccc(N2CCCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
ALOX15 P16050 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHKA P35790 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL146936 1.00 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL693166 1.00 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL41297 0.97 CHKA (0.52) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL114702 0.92 CHKA (0.46) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL5795262 0.87
SCHEMBL11747202 0.87 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL12478326 0.84 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL5322825 0.82 L3MBTL1 (0.53) ALDH1A1MAPTL3MBTL1ALOX15MEN1
SCHEMBL4041212 0.82 L3MBTL3 (0.75) L3MBTL1L3MBTL3CYP2C19
SCHEMBL6887590 0.81 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15MEN1

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 19 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-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 US 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-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-09-04 US disclosed
US-7335678-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBOTT LABORATORIES (US) 2008-02-26 US disclosed
WO-2006062981-A2 ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US 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-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 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-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR TRPV1, TMEM109, VIPR1 ALDH1A1 298/4885MAPT 4192/4885L3MBTL1 4207/4885
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 ALDH1A1 499/4885MAPT 1788/4885L3MBTL1 4325/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 ALDH1A1 262/4885MAPT 4118/4885L3MBTL1 4131/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 ALDH1A1 256/4885MAPT 4186/4885L3MBTL1 4084/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 ALDH1A1 350/4885MAPT 4138/4885L3MBTL1 3885/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 ALDH1A1 298/4885MAPT 4192/4885L3MBTL1 4207/4885
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 ALDH1A1 686/4885MAPT 4145/4885L3MBTL1 3037/4885

“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.