SCHEMBL14917045

SCHEMBL14917045

CC(C)(C)CN(CC1=NN(CCC2CCCC2)C(=O)C1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL15344570 0.95
SCHEMBL14916696 0.91 KMT2A (0.33) KMT2A
SCHEMBL14917351 0.90 KMT2A (0.34) ALDH1A1LMNAKMT2A
SCHEMBL14916451 0.88 PDE4B (0.32) KMT2A
SCHEMBL14916722 0.86 CNR2 (0.30)
SCHEMBL14916521 0.84
SCHEMBL360066 0.83 SMN1; SMN2 (0.36) ALDH1A1LMNASMN1; SMN2KMT2ARORC
SCHEMBL14916982 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL14916758 0.82
SCHEMBL14917272 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 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-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885LMNA 4613/4885SMN1; SMN2 3745/4885

“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.