Sugi Predict

Sugi Predict / Compounds / SCHEMBL696022

SCHEMBL696022

SCHEMBL696022

Cc1cccc(CNC2CC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PDCD1 Q15116 2/20 0.41
▸ CD274 Q9NZQ7 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACHE P22303 3/20 0.39
▸ BACE1 P56817 3/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL56141 0.82 P2RX7 (0.43) GLAHTTNPSR1PDCD1CD274
SCHEMBL64531 0.82 GLA (0.56) GLAHTTNPSR1MEN1KMT2A
SCHEMBL2466537 0.82 ACHE (0.47) HTTMEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL3354807 0.81 MEN1 (0.42) GLAHTTNPSR1PDCD1CD274
Hydrochloric Acid SCHEMBL12813545 0.80 KMT2A (0.49) GLAHTTNPSR1MEN1KMT2A
SCHEMBL736962 0.79 GLA (0.53) GLAHTTNPSR1PDCD1CD274
SCHEMBL736320 0.79 OPRL1 (0.47) GLAHTTNPSR1MEN1KMT2A
SCHEMBL736332 0.79 MEN1 (0.54) HTTNPSR1PDCD1CD274MEN1
SCHEMBL4485246 0.77 BCHE (0.43) PDCD1CD274MEN1KMT2APOLB
SCHEMBL6110591 0.77 BCHE (0.51) HTTPDCD1CD274MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 — — WO claimed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 — — US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 — — EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 — — WO disclosed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 — — WO disclosed
WO-2006131884-A2 THIAZOLE SUBSTITUTED DIAZABICYCLONONANE OR-NONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-12-14 — — 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 GLA 901/4885HTT 3542/4885NPSR1 1464/4885

“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.