SCHEMBL7245215

SCHEMBL7245215

CNCCCS(=O)(=O)c1ccc(C(N)CNCCOc2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.47
ADRB3 P13945 4/20 0.47
ADRB2 P07550 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
KCNH2 Q12809 2/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9733253 0.78 NPC1 (0.69) NPC1RAB9AGRIN1GRIN2BKCNH2
SCHEMBL7245213 0.76 NPC1 (0.42) NPC1RAB9AGRIN1GRIN2BKCNH2
SCHEMBL9389817 0.74 NPC1 (0.67) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL7245207 0.73 NPC1 (0.48) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL7245209 0.72 KCNH2 (0.51) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL7245211 0.70 KDM4E (0.44) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL9387271 0.69 NPC1 (0.68) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL8213400 0.69 ADRB3 (0.67) ADRB1ADRB3ADRB2LMNA
SCHEMBL11696549 0.68 ADRB3 (0.66) ADRB1ADRB3ADRB2LMNA
Hydrochloric Acid SCHEMBL11697572 0.68 ADRB3 (0.66) ADRB1ADRB3ADRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
EP-1089749-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS Advanced Medicine, Inc. (US) 2001-04-11 EP disclosed
EP-1089749-A4 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-04-11 EP disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO 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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 ADRB1 1522/4885ADRB3 1428/4885ADRB2 1588/4885

“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.