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SCHEMBL484102

SCHEMBL484102

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.63
▸ CYP11B2 P19099 1/20 0.61
▸ CYP2C9 P11712 8/20 0.60
▸ TSHR P16473 4/20 0.60
▸ CYP3A4 P08684 9/20 0.59
▸ CYP2D6 P10635 6/20 0.59
▸ CYP2C19 P33261 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ITGB3 P05106 3/20 0.55
▸ ITGA2B P08514 3/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL30042024 0.94 CYP3A4 (0.67) HIF1ACYP11B2CYP2C9TSHRCYP3A4
SCHEMBL16622443 0.94 HIF1A (0.61) HIF1ACYP11B2CYP2C9TSHRCYP3A4
SCHEMBL485072 0.93 CYP3A4 (0.67) HIF1ACYP11B2CYP2C9TSHRCYP3A4
SCHEMBL484823 0.92 HIF1A (0.74) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL38662223 0.90 CYP3A4 (0.62) HIF1ACYP11B2CYP2C9TSHRCYP3A4
Hydrochloric Acid SCHEMBL2365586 0.89 HIF1A (0.52) HIF1ACYP11B2CYP2C9TSHRCYP3A4
SCHEMBL485459 0.88 CYP3A4 (0.77) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL484571 0.88 CYP3A4 (0.70) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL485435 0.88 HIF1A (0.67) HIF1ACYP2C9TSHRCYP3A4CYP2D6
SCHEMBL484568 0.87 CYP3A4 (0.77) HIF1ACYP2C9TSHRCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259812-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 — — US disclosed
WO-2018178938-A1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-04 — — WO disclosed
EP-3368536-A1 CGRP RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2018-09-05 — — EP disclosed
US-20180009808-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-01-11 — — US disclosed
US-9802935-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-10-31 — — US disclosed
WO-2017072722-A1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-05-04 — — WO disclosed
US-20170121331-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-05-04 — — 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US 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
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (6 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-20180009808-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 HIF1A 884/4885CYP11B2 1397/4885CYP2C9 3512/4885
US-10259812-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 HIF1A 884/4885CYP11B2 1397/4885CYP2C9 3512/4885
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HIF1A 1157/4885CYP11B2 2150/4885CYP2C9 2259/4885
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB HIF1A 4647/4885CYP11B2 3738/4885CYP2C9 1609/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HIF1A 1157/4885CYP11B2 2150/4885CYP2C9 2259/4885
US-20170121331-A1 CGRP Receptor Antagonists CALCRL, CALCR, VIPR1 HIF1A 884/4885CYP11B2 1397/4885CYP2C9 3512/4885

“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.