SCHEMBL19967968

SCHEMBL19967968

COC(=O)CCc1nccn1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
FPR2 P25090 2/20 0.36
MLYCD O95822 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NR3C1 P04150 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 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
SCHEMBL23706343 0.85 FPR2 (0.41) ADORA3ADORA2AADORA2BADORA1FPR2
SCHEMBL18106170 0.83 SMN1; SMN2 (0.45) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL2490033 0.80 FDPS (0.43) ALDH1A1KMT2AMEN1RAB9ATSHR
SCHEMBL24858575 0.76 BRD4 (0.36) ADORA3ADORA2AADORA2BADORA1NR3C1
SCHEMBL23043665 0.75 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL19827148 0.74 GAA (0.44) ALDH1A1KMT2AMEN1RAB9ATSHR
SCHEMBL14254645 0.73 KCNH2 (0.35) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4898433 0.73 MC4R (0.35) ADORA3ADORA2AADORA2BADORA1FPR2
SCHEMBL16136347 0.73 FPR2 (0.49) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL4888356 0.72 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1

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-10253014-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2019-04-09 US disclosed
US-20180072701-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-03-15 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 (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-20180072701-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SLC10A1, MC2R, ADRA1D ADORA3 69/4885ADORA2A 111/4885ADORA2B 87/4885
US-10253014-B2 Cyclic amine derivative and pharmaceutical use thereof SLC10A1, MC2R, ADRA1D ADORA3 69/4885ADORA2A 111/4885ADORA2B 87/4885

“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.