SCHEMBL21927014

SCHEMBL21927014

O=C(c1ccc(C(F)(F)F)o1)C1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GRM5 P41594 1/20 0.45
CLPP Q16740 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 2/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5480132 0.91 ALDH1A1 (0.52) HSD11B1RAB9AALDH1A1MAPTKMT2A
SCHEMBL5480130 0.91 ALDH1A1 (0.52) HSD11B1RAB9AALDH1A1MAPTKMT2A
SCHEMBL5474311 0.81 HSD11B1 (0.68) HSD11B1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5474315 0.81 HSD11B1 (0.68) HSD11B1RAB9AALDH1A1KMT2AMEN1
SCHEMBL21926849 0.79 ALDH1A1 (0.67) HSD11B1RAB9AALDH1A1MAPTKMT2A
SCHEMBL21928849 0.77 HSD11B1 (0.71) HSD11B1RAB9AALDH1A1KMT2AMEN1
SCHEMBL192998 0.76 NPC1 (0.60) HSD11B1RAB9AALDH1A1MAPTKMT2A
SCHEMBL191835 0.76 NPC1 (0.60) HSD11B1RAB9AALDH1A1MAPTKMT2A
SCHEMBL5479819 0.76 HSD11B1 (0.60) HSD11B1RAB9AALDH1A1GAAGLA
SCHEMBL3589879 0.75 GLA (0.75) HSD11B1RAB9AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 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-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 HSD11B1 4689/4885RAB9A 2963/4885ALDH1A1 1450/4885

“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.