Sugi Predict

Sugi Predict / Compounds / SCHEMBL484732

SCHEMBL484732

SCHEMBL484732

N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.48
▸ USP2 O75604 10/20 0.48
▸ CYP2D6 P10635 7/20 0.48
▸ CYP1A2 P05177 6/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP2C19 P33261 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ TSHR P16473 7/20 0.45
▸ CYP2C9 P11712 6/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PRKAA2 P54646 1/20 0.43

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
SCHEMBL484809 0.96 USP2 (0.53) CYP3A4USP2CYP2D6CYP1A2CYP2C19
SCHEMBL484584 0.94 CYP3A4 (0.43) CYP3A4USP2CYP2D6CYP1A2HPGD
SCHEMBL484550 0.90 AR (0.47) CYP3A4CYP1A2CYP2C19ALDH1A1GLA
SCHEMBL484329 0.89 TAS1R3 (0.42) CYP3A4USP2CYP2D6ALDH1A1
SCHEMBL484474 0.89 CYP2D6 (0.47) CYP3A4USP2CYP2D6CYP1A2CYP2C19
SCHEMBL484910 0.89 USP2 (0.52) CYP3A4USP2CYP2D6CYP1A2HPGD
SCHEMBL484363 0.89 CYP3A4 (0.53) CYP3A4USP2CYP2D6CYP1A2HPGD
SCHEMBL484493 0.89 CYP3A4 (0.48) CYP3A4USP2CYP2D6CYP1A2HPGD
SCHEMBL484596 0.89 ALDH1A1 (0.45) CYP3A4USP2CYP2D6CYP1A2CYP2C19
SCHEMBL484372 0.89 CYP3A4 (0.49) CYP3A4USP2CYP2D6CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP2D6 1926/4885

“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.