SCHEMBL19145299

SCHEMBL19145299

Cc1cnc(N2CCOCC2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PIK3CA P42336 8/20 0.50
MTOR P42345 8/20 0.50
PIK3R1 P27986 5/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3C2B O00750 2/20 0.50
PIK3CG P48736 2/20 0.50
PIK3C3 Q8NEB9 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.43
PRKDC P78527 1/20 0.43
RICTOR Q6R327 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
SCHEMBL26351642 0.88 KDM4E (0.49) KDM4EPIK3CAMTORPIK3R1PIK3CB
SCHEMBL22700060 0.83 HRH4 (0.48) ALDH1A1KMT2AUSP2CYP1A2HSD17B10
SCHEMBL19105544 0.82 KDM4E (0.49) KDM4EPIK3CAMTORPIK3R1PIK3CB
SCHEMBL21768443 0.82 ALDH1A1 (0.58) KDM4EPIK3CAMTORPIK3R1PIK3CB
SCHEMBL15318613 0.82 ADRB1 (0.52) KDM4EALDH1A1USP2CYP1A2HSD17B10
SCHEMBL19145186 0.79 OPRL1 (0.46) KDM4EMTORCNR2ALDH1A1OPRM1
SCHEMBL17531186 0.79 KDM4E (0.54) KDM4EPIK3CAMTORPIK3R1PIK3CB
SCHEMBL21780756 0.77 SMO (0.50) KDM4EALDH1A1KMT2AOPRL1
SCHEMBL21121002 0.76 KMT2A (0.58) KDM4EPIK3CAMTORPIK3R1PIK3CB
SCHEMBL12580779 0.76 SMN1; SMN2 (0.42) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 2919/4885PIK3CA 2927/4885MTOR 2019/4885

“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.