Sugi Predict

Sugi Predict / Compounds / SCHEMBL484823

SCHEMBL484823

SCHEMBL484823

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.74
▸ CYP2C9 P11712 9/20 0.67
▸ TSHR P16473 5/20 0.67
▸ CYP2D6 P10635 7/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ CYP3A4 P08684 9/20 0.63
▸ CYP1A2 P05177 4/20 0.58
▸ CYP2C19 P33261 7/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ITGB3 P05106 4/20 0.54
▸ ITGA2B P08514 4/20 0.54
▸ HPGD P15428 1/20 0.53

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
SCHEMBL485435 0.95 HIF1A (0.67) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL484102 0.92 HIF1A (0.63) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL485072 0.92 CYP3A4 (0.67) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL2306453 0.92 HIF1A (0.63) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL16622443 0.91 HIF1A (0.61) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL30042024 0.89 CYP3A4 (0.67) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL13587106 0.88 MAPT (0.63) HIF1ATSHRSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL38662223 0.87 CYP3A4 (0.62) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL484568 0.87 CYP3A4 (0.77) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2
SCHEMBL4238923 0.85 CYP3A4 (0.60) HIF1ACYP2C9TSHRCYP2D6SMN1; SMN2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 — — EP disclosed
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 — — EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 — — EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 — — EP disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 — — EP disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 — — WO disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 — — WO disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 — — US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 — — US disclosed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 — — WO disclosed
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 — — EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 — — US disclosed
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 — — EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 — — 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 (5 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 HIF1A 1157/4885CYP2C9 2259/4885TSHR 338/4885
US-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 HIF1A 1639/4885CYP2C9 671/4885TSHR 287/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HIF1A 1107/4885CYP2C9 499/4885TSHR 218/4885
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB HIF1A 4647/4885CYP2C9 1609/4885TSHR 1147/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS HIF1A 2131/4885CYP2C9 242/4885TSHR 370/4885

“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.