SCHEMBL485158

SCHEMBL485158

CC(C)(C)OC(=O)N1CCCC2(CCNCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.44
USP2 O75604 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL118654 0.94 CYP1A2 (0.50) CYP1A2USP2SMN1; SMN2GABRDGABRA1
Hydrochloric Acid SCHEMBL2075849 0.92 CYP1A2 (0.49) CYP1A2USP2SMN1; SMN2GABRDGABRA1
SCHEMBL807766 0.88 CYP3A4 (0.48) CYP1A2HPGDUSP2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL1395118 0.87 CYP3A4 (0.47) CYP1A2HPGDUSP2SMN1; SMN2CYP3A4
Trifluoroacetic Acid SCHEMBL15571773 0.87 CYP1A2 (0.44) CYP1A2USP2SMN1; SMN2GABRDGABRA1
SCHEMBL21801899 0.87 HPGD (0.46) CYP1A2HPGDUSP2SMN1; SMN2GPR119
SCHEMBL20937613 0.86 USP2 (0.53) CYP1A2HPGDUSP2SMN1; SMN2GPR119
SCHEMBL933177 0.86 USP2 (0.53) CYP1A2HPGDUSP2SMN1; SMN2GPR119
SCHEMBL14027001 0.86 CYP11B2 (0.46) CYP1A2USP2SMN1; SMN2CYP3A4CYP2C19
SCHEMBL484311 0.85 CYP11B2 (0.49) CYP1A2USP2SMN1; SMN2GABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
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
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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 (3 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 CYP1A2 3400/4885HPGD 386/4885USP2 4864/4885
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 CYP1A2 1043/4885HPGD 496/4885USP2 3600/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885HPGD 386/4885USP2 4864/4885

“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.