SCHEMBL18366347

SCHEMBL18366347

CCn1nc(C(C)=O)c2c1CCC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.35
TMEM97 Q5BJF2 4/20 0.35
SIGMAR1 Q99720 3/20 0.35
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18366348 0.89 ALDH1A1 (0.38) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL23642485 0.76 PSEN1 (0.38) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL18372656 0.70 RIPK1 (0.38) ALDH1A1NPC1KDM4ETSHRBCHE
SCHEMBL19659108 0.69 RIPK1 (0.37) ALDH1A1TSHRBCHETMEM97SIGMAR1
SCHEMBL15564257 0.69 ALDH1A1 (0.34) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL23278661 0.67 PDE4A (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL25097670 0.64 LMNA (0.60) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL18372860 0.64 HCAR2 (0.47) NPC1RAB9AKMT2AGAA
SCHEMBL30066529 0.63 HTT (0.35) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL1144663 0.63 KDM4E (0.35) ALDH1A1NPC1RAB9AKDM4EALOX15

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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 ALDH1A1 1195/4885HPGD 2167/4885NPC1 541/4885

“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.