SCHEMBL21768436

SCHEMBL21768436

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.46
SMO Q99835 1/20 0.44
PTPN11 Q06124 1/20 0.44
IDO1 P14902 2/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H3 Q13133 1/20 0.41
NR1H2 P55055 1/20 0.41
TDO2 P48775 1/20 0.41
GBA1 P04062 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL21780756 0.85 SMO (0.50) OPRL1SMOPTPN11IDO1MEN1
SCHEMBL19105587 0.83 HSP90AA1 (0.48) OPRL1SMOPTPN11IDO1MEN1
SCHEMBL22538528 0.83 OPRL1 (0.46) OPRL1SMOPTPN11IDO1MEN1
SCHEMBL21768444 0.81 SMO (0.50) OPRL1SMOPTPN11ABL1BCR
SCHEMBL24962327 0.77 IDO1 (0.52) IDO1MEN1KMT2ASMN1; SMN2TDO2
SCHEMBL22941520 0.77 HSP90AA1 (0.47) OPRL1SMOPTPN11IDO1MEN1
SCHEMBL21768445 0.77 OPRL1 (0.43) OPRL1ABL1BCRKMT2ASMN1; SMN2
SCHEMBL21768443 0.76 ALDH1A1 (0.58) ABL1BCRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30101432 0.76 IDO1 (0.51) IDO1MEN1KMT2ASMN1; SMN2TDO2
SCHEMBL26342024 0.76 SMO (0.47) OPRL1SMOPTPN11IDO1MEN1

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 3 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

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 OPRL1 3/4885SMO 2661/4885PTPN11 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.