SCHEMBL18463448

SCHEMBL18463448

CCN1CC[C@H](N(C)c2ccc(N)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
RAD52 P43351 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PSMD14 O00487 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL14079174 0.91 GFER (0.47) GFERGAAMAPTRAD52KDM4E
SCHEMBL10563190 0.84 OPRM1 (0.44) ADORA2AADORA1HRH3OPRM1SIGMAR1
SCHEMBL21338053 0.84 JAK2 (0.41) JAK2JAK1ALDH1A1CYP3A4MAPK1
SCHEMBL16698718 0.84 JAK2 (0.41) JAK2JAK1ALDH1A1CYP3A4MAPK1
SCHEMBL16698478 0.82 PGR (0.43) ADORA2AJAK2JAK1HRH3NOS3
SCHEMBL21727142 0.82 PGR (0.43) ADORA2AJAK2JAK1HRH3NOS3
SCHEMBL21338078 0.82 PGR (0.43) ADORA2AJAK2JAK1HRH3NOS3
SCHEMBL16697872 0.81 CCR5 (0.37) ADORA2AADORA1JAK2JAK1OPRM1
SCHEMBL3565009 0.80 CTSL (0.40) GFERGAAMAPTKDM4EJAK2
SCHEMBL1126485 0.76 ALDH1A1 (0.43) GFERGAAMAPTKDM4ESMN1; SMN2

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-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK GFER 2806/4885GAA 2699/4885MAPT 2803/4885

“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.