SCHEMBL21780756

SCHEMBL21780756

CC(=O)N1CCN(c2ncc(C)c(C(F)(F)F)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.50
OPRL1 P41146 1/20 0.47
PTPN11 Q06124 1/20 0.45
GBA1 P04062 2/20 0.44
IDO1 P14902 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MET P08581 1/20 0.43
MAPT P10636 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDO2 P48775 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL26342024 0.87 SMO (0.47) SMOOPRL1PTPN11GBA1IDO1
SCHEMBL22538528 0.87 OPRL1 (0.46) SMOOPRL1PTPN11GBA1IDO1
SCHEMBL21768436 0.85 OPRL1 (0.46) SMOOPRL1PTPN11GBA1IDO1
SCHEMBL19105587 0.84 HSP90AA1 (0.48) SMOOPRL1PTPN11GBA1IDO1
SCHEMBL22700060 0.81 HRH4 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL24962327 0.79 IDO1 (0.52) IDO1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22941520 0.78 HSP90AA1 (0.47) SMOOPRL1PTPN11GBA1IDO1
SCHEMBL19145186 0.78 OPRL1 (0.46) OPRL1SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL14148849 0.77 MEN1 (0.46) PTPN11SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15318613 0.77 ADRB1 (0.52) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA

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 2 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-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

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 SMO 2661/4885OPRL1 3/4885PTPN11 2622/4885

“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.