SCHEMBL13801274

SCHEMBL13801274

O=CN1CCC(N2Cc3cccnc3NC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.44
▸ IDH1 O75874 14/20 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
SCHEMBL3728481 0.87 IDH1 (0.43) CALCRLIDH1
SCHEMBL27305349 0.86 CHRM2 (0.44) CALCRLIDH1
SCHEMBL1198050 0.82 MAPK1 (0.44) CALCRLIDH1
SCHEMBL2214219 0.81 CALCRL (0.51) CALCRLIDH1
SCHEMBL5242632 0.81 CALCRL (0.43) CALCRLIDH1
SCHEMBL23257321 0.81 PARP2 (0.47) CALCRLIDH1
SCHEMBL14410176 0.81 PARP1 (0.47) CALCRLIDH1
SCHEMBL3956507 0.81 CHRM4 (0.52) —
Hydrochloric Acid SCHEMBL2322170 0.81 MAPK1 (0.43) CALCRLIDH1
SCHEMBL5695088 0.80 CALCRL (0.49) CALCRL

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 CALCRL 255/4885IDH1 3319/4885

“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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