SCHEMBL20032398

SCHEMBL20032398

CCC(CC)c1ccc(-c2ccc(OC)nc2)cc1-n1ccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CRHR1 P34998 1/20 0.37
BRD4 O60885 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KDR P35968 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
FYN P06241 1/20 0.35
CYP2A6 P11509 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL21366955 0.92 PIK3CD (0.39) GRM2CRHR1KDM4EALDH1A1GAA
SCHEMBL18713654 0.87 AAK1 (0.36) CRHR1LOXL2KDM4EALDH1A1GAA
SCHEMBL20032473 0.84 DYRK1A (0.40) CRHR1KDM4EALDH1A1GAAMAPT
SCHEMBL16574219 0.82 HSD17B1 (0.44) GRM2HSD17B1HSD17B2BRD4LOXL2
SCHEMBL20032487 0.81 PKM (0.41) CRHR1KDM4EALDH1A1GAAMAPT
SCHEMBL20032437 0.81 RAB9A (0.42) CRHR1KDM4EALDH1A1GAAMAPT
SCHEMBL18713673 0.80 MAPT (0.39) GRM2BRD4KDM4EALDH1A1GAA
SCHEMBL18713577 0.80 CYP17A1 (0.39) GRM2KDM4EALDH1A1GAAMAPT
SCHEMBL21366907 0.80 MAPT (0.41) CRHR1KDM4EALDH1A1GAAMAPT
SCHEMBL18713722 0.80 MAPT (0.41) CRHR1KDM4EALDH1A1GAAMAPT

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A GRM2 1829/4885HSD17B1 65/4885HSD17B2 164/4885

“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.