SCHEMBL3053503

SCHEMBL3053503

Cc1cc(S(=O)(=O)Nc2cccc3ccn(CCC(=O)N4CCC(CCN5CCCC5)CC4)c23)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ F10 P00742 3/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ TGFBR1 P36897 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL3061724 0.87 CACNA2D1 (0.39) F10HSD17B1HSD17B2BDKRB1HSD11B1
SCHEMBL3056953 0.85 HSD11B1 (0.36) HSD17B1HSD17B2BDKRB1HSD11B1
SCHEMBL3055551 0.84 BDKRB1 (0.41) DRD2DRD3NPY1RHTR6F10
SCHEMBL3043132 0.84 METAP2 (0.37) F10HSD17B1HSD17B2BDKRB1HSD11B1
SCHEMBL3053031 0.80 HSD17B1 (0.45) HSD17B1HSD17B2MAPTLMNA
SCHEMBL13139531 0.78 HSD17B1 (0.43) HSD17B1HSD17B2MAPTTHRBLMNA
SCHEMBL3055517 0.78 BDKRB1 (0.39) F10BDKRB1
SCHEMBL13139645 0.77 BDKRB1 (0.41) HTR6TGFBR1BDKRB1
SCHEMBL3056165 0.74 HSD17B1 (0.47) HSD17B1HSD17B2MAPTLMNA
SCHEMBL3056437 0.73 BDKRB1 (0.40) F10BDKRB1MAPT

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US claimed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB DRD2 36/4885DRD3 80/4885NPY1R 5/4885

“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.

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