SCHEMBL1854671

SCHEMBL1854671

O=C1CCc2cc(N3CCCCC3)c(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ IP6K1 Q92551 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GPR174 Q9BXC1 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4814415 0.87 CRBN (0.49) ALDH1A1MAPTLMNAMAPK1HSD17B1
SCHEMBL1239564 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL28510399 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNATSHRHSD17B1
SCHEMBL31123621 0.79 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL30081454 0.76 HSD17B1 (0.49) MAPK1HSD17B1CYP1A2CASP1CASP7
SCHEMBL782926 0.76 HSD17B1 (0.49) MAPK1HSD17B1CYP1A2CASP1CASP7
SCHEMBL4531672 0.75 ALDH1A1 (0.36) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL22909290 0.72 MAPK1 (0.50) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL23834593 0.71 CASP3 (0.44) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL1862715 0.70 HSD17B10 (0.52) ALDH1A1MAPTLMNAMAPK1HSD17B1

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
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 — — US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 — — US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 — — US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 — — EP disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 — — EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 — — US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 — — EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 — — US disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 — — EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 — — US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 — — WO 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ALDH1A1 1901/4885MAPT 4755/4885LMNA 4092/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 ALDH1A1 1865/4885MAPT 4737/4885LMNA 4066/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ALDH1A1 1901/4885MAPT 4755/4885LMNA 4092/4885

“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.

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