SCHEMBL1531618

SCHEMBL1531618

NC(=O)C1(Nc2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CTSK P43235 2/20 0.45
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
OPRL1 P41146 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NPFFR1 Q9GZQ6 2/20 0.40
NPFFR2 Q9Y5X5 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 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
SCHEMBL2542108 0.98 CYP1A2 (0.50) CYP1A2CA12CA1CA2CA4
SCHEMBL1531517 0.92 CA12 (0.51) CYP1A2CA12CA1CA2CA4
SCHEMBL654160 0.84 KDM4E (0.51) CYP1A2CA12CA1CA2CA4
SCHEMBL28001857 0.83 CA12 (0.44) CYP1A2CA12CA1CA2CA4
SCHEMBL3954627 0.83 CYP1A2 (0.61) CYP1A2CTSKFAAHALDH1A1AKR1C1
Hydrochloric Acid SCHEMBL2991144 0.83 CYP1A2 (0.61) CYP1A2CTSKFAAHALDH1A1AKR1C1
SCHEMBL3407690 0.82 CYP1A2 (0.49) CYP1A2CA12CA1CA2CA4
SCHEMBL3087843 0.82 CTSK (0.49) CYP1A2CA12CA1CA2CA4
SCHEMBL10282391 0.82 CA12 (0.44) CYP1A2CA12CA1CA2CA4
SCHEMBL10274478 0.82 CA12 (0.56) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197850-B1 DERIVATIVES OF N-PHENYLACETAMIDE, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-06-26 EP disclosed
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
US-8044082-B2 N-phenylacetamide inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-10-25 US disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed
US-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 US disclosed
EP-2197850-A1 DERIVATIVES OF N-PHENYLACETAMIDE, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030747-A1 DERIVATIVES OF N-PHENYLACETAMIDE, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 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 (1 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-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, NAT1 CYP1A2 530/4885CA12 4594/4885CA1 4011/4885

“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.