SCHEMBL6175075

SCHEMBL6175075

CNC(=O)C(=O)NC1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.41
P2RX4 Q99571 1/20 0.41
SSTR4 P31391 1/20 0.38
POLB P06746 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL24150016 0.83 KDM4E (0.41) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15255710 0.83 SMN1; SMN2 (0.56) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22906115 0.82 KDM4E (0.45) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13621156 0.82 KDM4E (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10271099 0.82 EPHX2 (0.46) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15808570 0.80 KDM4E (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15255706 0.79 SMN1; SMN2 (0.73) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16103854 0.77 SIGMAR1 (0.46) KDM4ESIGMAR1ALDH1A1P2RX4SSTR4
SCHEMBL9065286 0.77 SMN1; SMN2 (0.77) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2016562 0.77 KDM4E (0.49) KDM4ESIGMAR1ALDH1A1P2RX4SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 WO disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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 (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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 KDM4E 3512/4885MAPT 1553/4885NPC1 2857/4885

“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.