SCHEMBL4797984

SCHEMBL4797984

CC(=O)N1Cc2ccc(-c3cccc(OCCN4CCCC4)n3)cc2C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
MCHR1 Q99705 6/20 0.37
SIGMAR1 Q99720 4/20 0.36
MAP4K4 O95819 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
AVPR1B P47901 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 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
SCHEMBL4797972 1.00 HSD17B3 (0.38) HSD17B3MCHR1SIGMAR1MAP4K4HTR1A
SCHEMBL4797103 0.85 CACNA1B (0.42) HSD17B3
SCHEMBL4797138 0.85 HSD17B3 (0.48) HSD17B3PDK1PDK2PDK3PDK4
SCHEMBL4797111 0.85 CACNA1B (0.42) HSD17B3
SCHEMBL4798836 0.84 HSD17B3 (0.40) HSD17B3HTR1ADRD2HTR2A
SCHEMBL4798827 0.84 HSD17B3 (0.40) HSD17B3HTR1ADRD2HTR2A
SCHEMBL4799309 0.83 HSD17B3 (0.45) HSD17B3
SCHEMBL4799318 0.83 HSD17B3 (0.45) HSD17B3
SCHEMBL4798186 0.77 HSD17B3 (0.46) HSD17B3
SCHEMBL4798174 0.77 HSD17B3 (0.46) HSD17B3

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-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 1/4885MCHR1 4370/4885SIGMAR1 4151/4885

“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.