SCHEMBL3593569

SCHEMBL3593569

CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
GRM5 P41594 4/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A7 Q99884 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL176012 0.91 GRM5 (0.38) RORCGRM5HSD17B10ALDH1A1KMT2A
SCHEMBL3590902 0.91 GPR119 (0.44) KMT2AMAPT
SCHEMBL105484 0.86 HTR1A (0.42)
SCHEMBL3601001 0.80 IDO1 (0.37) RORCALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL106074 0.77 GAA (0.42) RAB9AKMT2A
SCHEMBL132842 0.72 GRM5 (0.42) RORCGRM5ALDH1A1
SCHEMBL106403 0.70 RORC (0.39) RORCGRM5ALDH1A1KMT2APOLB
SCHEMBL106404 0.70 RORC (0.39) RORCGRM5ALDH1A1KMT2APOLB
SCHEMBL103238 0.68 HTT (0.38) USP2NPSR1HSD17B10ALDH1A1KMT2A
SCHEMBL105867 0.65 TACR1 (0.45) RORCGRM5

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-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 RORC 19/4885GRM5 1608/4885USP2 3679/4885

“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.