SCHEMBL1899182

SCHEMBL1899182

FC(F)(F)c1[c]ccc(N2CCCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 3/20 0.39
TERT O14746 3/20 0.39
MAPT P10636 3/20 0.39
S100B P04271 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 3/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL1459581 0.98 AR (0.39) PDK2ALDH1A1HTTMAPK1TERT
SCHEMBL28701655 0.83 SIRT6 (0.46) PDK2ALDH1A1HTTMAPK1MAPT
SCHEMBL27993852 0.83 LMNA (0.42) PDK2ALDH1A1HTTMAPK1MAPT
SCHEMBL28701674 0.81 CTSS (0.34) ALDH1A1MAPTLMNASMN1; SMN2THRB
SCHEMBL28708992 0.80 CHRNA7 (0.46) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL28685696 0.80 MAPT (0.44) ALDH1A1MAPTPKMSMN1; SMN2KDM4E
SCHEMBL28698178 0.77 DRD2 (0.49) ALDH1A1GAASMN1; SMN2KDM4ESIGMAR1
SCHEMBL28689807 0.77 AR (0.38) ALDH1A1MAPK1MAPTALOX15TDP1
SCHEMBL21681522 0.77 ALDH1A1 (0.42) ALDH1A1HTTMAPK1TERTMAPT
SCHEMBL28685736 0.76 IGF1R (0.38) ALDH1A1HTTMAPK1MAPTLMNA

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 PDK2 3169/4885ALDH1A1 499/4885HTT 3736/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 PDK2 3453/4885ALDH1A1 256/4885HTT 4597/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 PDK2 3012/4885ALDH1A1 298/4885HTT 4593/4885

“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.