SCHEMBL13801241

SCHEMBL13801241

O=CN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 16/20 0.62
▸ DRD3 P35462 15/20 0.62
▸ DRD4 P21917 5/20 0.58
▸ ADRB1 P08588 1/20 0.57
▸ DHODH Q02127 1/20 0.52
▸ OPRK1 P41145 1/20 0.51
▸ HTR2A P28223 1/20 0.48
▸ DRD5 P21918 1/20 0.48
▸ NOTUM Q6P988 1/20 0.48
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL2323800 0.89 ADRB1 (0.55) DRD2DRD3DRD4ADRB1RAB9A
SCHEMBL17996843 0.83 ALDH1A1 (0.50) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL29282473 0.83 DRD2 (0.67) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL1194044 0.79 DRD2 (0.61) DRD2DRD3DRD4OPRK1DRD5
SCHEMBL27921833 0.79 DRD2 (0.61) DRD2DRD3DRD4ADRB1OPRK1
SCHEMBL3398184 0.78 DRD2 (0.70) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL8452211 0.77 DRD2 (0.69) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL18950672 0.77 DRD2 (0.68) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL8318459 0.77 DRD2 (0.68) DRD2DRD3DRD4ADRB1DHODH
SCHEMBL13457329 0.77 DRD2 (0.68) DRD2DRD3DRD4ADRB1DHODH

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-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
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 — — 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS DRD2 187/4885DRD3 160/4885DRD4 139/4885

“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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