SCHEMBL9943128

SCHEMBL9943128

CCN1CC[C@H](N)[C@@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DPP4 P27487 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL1893816 1.00 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1DPP4
SCHEMBL9943129 1.00 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1DPP4
SCHEMBL25982822 1.00 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1DPP4
SCHEMBL14393664 1.00 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1DPP4
SCHEMBL25353980 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL16330602 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL12462467 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL10271866 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL14543511 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL14707099 0.83 SMN1; SMN2 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 SMN1; SMN2 3503/4885GNAI3 2674/4885GNAO1 3595/4885

“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.