Sugi Predict

Sugi Predict / Compounds / SCHEMBL2816003

SCHEMBL2816003

SCHEMBL2816003

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(F)cc3)CC4)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.47
▸ USP2 O75604 9/20 0.47
▸ CYP1A2 P05177 7/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP2D6 P10635 6/20 0.47
▸ TSHR P16473 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ MAPK1 P28482 5/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP2C19 P33261 3/20 0.39

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
SCHEMBL484412 0.91 CYP3A4 (0.49) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484465 0.90 CYP3A4 (0.44) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL485044 0.89 HSD11B1 (0.42) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL485187 0.88 CYP3A4 (0.52) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484348 0.88 CYP3A4 (0.52) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484349 0.87 CYP2C9 (0.42) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484273 0.87 HSD11B1 (0.44) CYP3A4USP2CYP1A2CYP2D6TSHR
SCHEMBL484487 0.86 CYP2C9 (0.47) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484314 0.86 CYP3A4 (0.44) CYP3A4USP2CYP1A2MEN1KMT2A
SCHEMBL484797 0.85 CYP3A4 (0.50) CYP3A4USP2CYP1A2MEN1KMT2A

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
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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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 (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 4864/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP1A2 3400/4885

“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.