SCHEMBL3948953

SCHEMBL3948953

Cc1ccc(C#Cc2ccc(OC(F)(F)F)c(C(=O)NC(C)(CO)Cc3c[nH]c4ccccc34)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 4/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
TACR1 P25103 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CDK2 P24941 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL13904587 1.00 NPC1 (0.41) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL13904595 0.94 NPC1 (0.39) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL3954188 0.94 NPC1 (0.39) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL13904633 0.93 MMP2 (0.38) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL3953990 0.93 MMP2 (0.38) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL13948554 0.93 MMP2 (0.38) NPC1RAB9AATMMAPTSMN1; SMN2
SCHEMBL3947924 0.92 MMP2 (0.43) NPC1RAB9AATMMAPTCYP2D6
SCHEMBL13904626 0.92 MMP2 (0.43) NPC1RAB9AATMMAPTCYP2D6
SCHEMBL3945934 0.92 TRPV1 (0.40) CYP2D6MMP2MMP9TACR1TRPV1
SCHEMBL13904605 0.92 TRPV1 (0.40) CYP2D6MMP2MMP9TACR1TRPV1

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 NPC1 1531/4885RAB9A 3144/4885ATM 2388/4885

“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.