SCHEMBL16626804

SCHEMBL16626804

CCn1ccc2c(C3CC3)cc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR4A2 P43354 1/20 0.39
CNR2 P34972 2/20 0.38
HSD17B10 Q99714 2/20 0.38
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
RBP4 P02753 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL16624269 0.86 CHRNA1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16056355 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL16899416 0.79 NOTUM (0.43) KDM4EALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL5221750 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDLMNACYP3A4
Hydrochloric Acid SCHEMBL5222518 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL6870182 0.77 POLB (0.43) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL16616167 0.74 PTGER4 (0.33)
SCHEMBL17535603 0.73 PDE10A (0.42) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL5222810 0.73 BACE1 (0.51) KDM4EALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL22696547 0.72 HSD17B10 (0.37) KDM4EALDH1A1HPGDLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 KDM4E 3637/4885ALDH1A1 3197/4885HPGD 1692/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 KDM4E 3670/4885ALDH1A1 3012/4885HPGD 1595/4885

“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.