SCHEMBL3343262

SCHEMBL3343262

CC1(C)CCC(N2CCc3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.44
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 1/20 0.38
ADRA1A P35348 1/20 0.37
NAAA Q02083 1/20 0.36
MCHR1 Q99705 1/20 0.36
GPR142 Q7Z601 1/20 0.36
HDAC4 P56524 1/20 0.36
NPY5R Q15761 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NAMPT P43490 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CCR2 P41597 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3343257 0.82 MAP4K1 (0.46) MAP4K1ADRA1ANAAAMCHR1HDAC4
SCHEMBL3342713 0.80 MAP4K1 (0.38) MAP4K1ADRA1ANAAANPY5RESR1
SCHEMBL1789023 0.79 MAP4K1 (0.50) MAP4K1MEN1KMT2AADRA1ANAAA
SCHEMBL16194801 0.79 MAP4K1 (0.38) MAP4K1NPC1RAB9ANPY5R
SCHEMBL3339557 0.78 NPC1 (0.41) MAP4K1MEN1NPC1RAB9AKMT2A
SCHEMBL1783581 0.75 NPC1 (0.46) MEN1NPC1RAB9AKMT2AMCHR1
SCHEMBL25833035 0.74 STS (0.40) STSNPY5RESR1ESR2CNR1
SCHEMBL25833033 0.74 NPY5R (0.40) MEN1NPC1RAB9AKMT2ASTS
Trifluoroacetic Acid SCHEMBL3339967 0.72 CRACR2A (0.42) NPC1RAB9AKMT2AHRH3
Trifluoroacetic Acid SCHEMBL3042254 0.72 MAP4K1 (0.42) MAP4K1ADRA1AMCHR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US 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 (2 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 MAP4K1 2850/4885MEN1 4375/4885NPC1 3112/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MAP4K1 1472/4885MEN1 4865/4885NPC1 3467/4885

“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.