Sugi Predict

Sugi Predict / Compounds / SCHEMBL3955186

SCHEMBL3955186

SCHEMBL3955186

COc1ccc(F)cc1C#Cc1ccc(OC(F)(F)F)c(C(=O)NC(C)(CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL13904611 1.00 CYP2D6 (0.43) CYP2D6NPC1RAB9AITGB2ICAM1
SCHEMBL3946923 0.93 KMT2A (0.42) CYP2D6NPC1RAB9AITGB2ICAM1
SCHEMBL13904617 0.93 KMT2A (0.42) CYP2D6NPC1RAB9AITGB2ICAM1
SCHEMBL3948537 0.92 CYP2D6 (0.41) CYP2D6NPC1RAB9AITGB2ICAM1
SCHEMBL13904630 0.92 CYP2D6 (0.41) CYP2D6NPC1RAB9AITGB2ICAM1
SCHEMBL3954769 0.89 MMP2 (0.46) NPC1RAB9AITGB2ICAM1ITGAL
SCHEMBL13904603 0.89 MMP2 (0.46) NPC1RAB9AITGB2ICAM1ITGAL
SCHEMBL13904615 0.89 TRPV1 (0.38) CYP2D6KMT2AMEN1HTTTACR1
SCHEMBL3948650 0.89 TRPV1 (0.38) CYP2D6KMT2AMEN1HTTTACR1
SCHEMBL13948554 0.89 MMP2 (0.38) CYP2D6NPC1RAB9AITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US claimed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 — — WO claimed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — EP claimed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 — — US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 — — WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — EP 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 CYP2D6 675/4885NPC1 1531/4885RAB9A 3144/4885

“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.