SCHEMBL13801318

SCHEMBL13801318

O=CN1CCC(NC(=O)NC(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.66
▸ EPHX1 P07099 3/20 0.58
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MCHR1 Q99705 1/20 0.48
▸ CARM1 Q86X55 1/20 0.48
▸ PRMT6 Q96LA8 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL8484062 0.88 MEN1 (0.61) EPHX1NPC1RAB9ANPSR1POLB
SCHEMBL16322087 0.85 DRD4 (0.69) DRD4EPHX1NPC1RAB9ANPSR1
SCHEMBL4502456 0.85 DRD4 (0.67) DRD4EPHX1NPC1RAB9AMEN1
SCHEMBL8786936 0.80 DRD4 (1.00) DRD4MEN1KMT2AMCHR1
SCHEMBL25692665 0.79 CTSL (0.62) DRD4NPC1RAB9ANPSR1POLB
SCHEMBL13801286 0.79 ALDH1A1 (0.66) DRD4EPHX1RAB9APOLBKMT2A
SCHEMBL9590182 0.78 DRD4 (0.59) DRD4EPHX1NPC1RAB9AMEN1
SCHEMBL10965667 0.77 DRD4 (0.58) DRD4EPHX1MCHR1EPHX2
SCHEMBL14450278 0.77 KDM4E (0.64) DRD4EPHX1NPC1RAB9APOLB
SCHEMBL9592718 0.75 DRD4 (0.84) DRD4MEN1KMT2AMCHR1

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS DRD4 139/4885EPHX1 2612/4885NPC1 2959/4885

“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.

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