SCHEMBL13801423

SCHEMBL13801423

CNCC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 1/20 0.48
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
CHRM1 P11229 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
SCHEMBL22542017 0.83 HTT (0.57) CYP2C9ALDH1A1GAASMN1; SMN2AKR1C3
SCHEMBL6600563 0.80 MAPT (0.62) CYP2C9TSHRCYP2D6CYP3A4ITGB3
SCHEMBL8838124 0.80 TRPV1 (0.61) CYP2C9TSHRCYP2D6CYP3A4TRPV1
SCHEMBL20884943 0.79 SMN1; SMN2 (0.55) TSHRALDH1A1GAASMN1; SMN2AKR1C3
SCHEMBL14247599 0.79 P2RX7 (0.52) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL6603738 0.77 CYP2C9 (0.73) CYP2C9TSHRCYP3A4TRPV1ALDH1A1
SCHEMBL7368202 0.77 ITGB3 (0.67) CYP2C9CYP3A4ALDH1A1SMN1; SMN2ITGB3
SCHEMBL19265759 0.77 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2
SCHEMBL13801421 0.77 MAPT (0.58) SMN1; SMN2ITGB3ITGA2BCHRM1
SCHEMBL16599286 0.77 AKR1C3 (0.58) CYP2C9TSHRCYP3A4TRPV1ALDH1A1

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 CYP2C9 1340/4885TSHR 181/4885CYP2D6 1677/4885

“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.