SCHEMBL4796306

SCHEMBL4796306

CCN(CC)c1ccc2c(c1)CCc1ccccc1N(C(C)=O)C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 14/20 0.63
AVPR2 P30518 1/20 0.53
NOTUM Q6P988 2/20 0.50
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL19240154 0.79 HSD17B3 (1.00) HSD17B3NOTUMLMNAKDM4EMAPT
SCHEMBL4048650 0.79 HSD17B3 (0.51) HSD17B3AVPR2LMNAMEN1KMT2A
SCHEMBL4048653 0.79 HSD17B3 (0.51) HSD17B3AVPR2LMNAMEN1KMT2A
SCHEMBL4798305 0.78 HSD17B3 (1.00) HSD17B3NOTUM
SCHEMBL9094480 0.78 LMNA (0.66) NOTUMPOLBLMNAKDM4EMAPT
SCHEMBL14084521 0.78 HSD17B3 (0.80) HSD17B3NOTUMLMNAKDM4EMEN1
SCHEMBL4796682 0.76 HSD17B3 (0.78) HSD17B3NOTUM
SCHEMBL4797362 0.76 HSD17B3 (0.60) HSD17B3NOTUMPOLB
SCHEMBL4796294 0.75 HSD17B3 (0.67) HSD17B3AVPR2NOTUMKDM4EMAPT
SCHEMBL4799258 0.74 HSD17B3 (0.80) HSD17B3NOTUMPOLBKDM4EMAPT

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885AVPR2 4155/4885NOTUM 465/4885

“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.