SCHEMBL92936

SCHEMBL92936

Cc1ccc(F)c(COC2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HTR2C P28335 5/20 0.39
SLC6A4 P31645 5/20 0.39
HTR2A P28223 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TACR1 P25103 3/20 0.34
PDE2A O00408 1/20 0.34
P2RX3 P56373 1/20 0.34
CREBBP Q92793 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9447363 0.85 KDM4C (0.41) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL79915 0.85 L3MBTL1 (0.44) L3MBTL1HTR2CSLC6A4HTR2AKDM4C
SCHEMBL18355473 0.82 L3MBTL1 (0.38) L3MBTL1HTR2CSLC6A4HTR2AKDM4C
SCHEMBL14027736 0.81 KDM4C (0.38) L3MBTL1SLC6A4KDM4CNPC1RAB9A
SCHEMBL5078481 0.79 ALDH1A1 (0.40) L3MBTL1KDM4CMEN1KMT2AALDH1A1
SCHEMBL92906 0.78 DRD4 (0.47) L3MBTL1SLC6A4KDM4CNPC1RAB9A
SCHEMBL26668973 0.78 CXCR3 (0.41) L3MBTL1HTR2CSLC6A4KDM4CMEN1
SCHEMBL16425429 0.78 SRC (0.42) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL14065905 0.77 ICAM1 (0.42) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL31615004 0.77 L3MBTL1 (0.38) L3MBTL1HTR2CSLC6A4KDM4CNPC1

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C L3MBTL1 2206/4885HTR2C 1163/4885SLC6A4 45/4885

“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.