SCHEMBL3405649

SCHEMBL3405649

NCC1(Nc2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38

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
SCHEMBL2427580 0.84 SLC6A4 (0.39) SLC6A4NPFFR1NPFFR2HTR2B
SCHEMBL31441157 0.81 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2B
SCHEMBL28799141 0.81 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL20340442 0.81 CNR2 (0.39) SLC6A4NPFFR1NPFFR2
SCHEMBL3405957 0.79 CYP1A2 (0.33) DPP4SLC6A4SLC6A3
SCHEMBL27899990 0.77 NPFFR1 (0.38) DPP4MAOAMAOBTAAR1NPFFR1
SCHEMBL15824244 0.74 DPP4 (0.43) DPP4SLC6A4SLC6A2SLC6A3NPFFR1
SCHEMBL31441146 0.73 GALR2 (0.41) SLC6A2
SCHEMBL3410176 0.73 DPP4 (0.38) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL8019111 0.73 HTR2B (0.39) SLC6A4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197851-B1 DERIVATIVES OF N-PHENYLACETAMIDE AS INHIBITORS OF THE ENZYME SOAT1 FOR PHARMACEUTICAL AND COSMETIC USE GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
US-8513307-B2 N-phenylacetamide inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20100273813-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-28 US disclosed
EP-2197851-A1 DERIVATIVES OF N-PHENYLACETAMIDE AS INHIBITORS OF THE ENZYME SOAT1 FOR PHARMACEUTICAL AND COSMETIC USE Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030750-A1 DERIVATIVES OF N-PHENYLACETAMIDE AS INHIBITORS OF THE ENZYME SOAT1 FOR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 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-20100273813-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, NAT1 DPP4 2282/4885SLC6A4 1591/4885SLC6A2 1301/4885

“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.