SCHEMBL20799609

SCHEMBL20799609

N#C[C@]1(O)C[C@H]2CN(Cc3ccccc3)C[C@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.49
OPRM1 P35372 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
GRIN2B Q13224 2/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL20799623 0.82 OPRM1 (0.46) FUCA1OPRM1DRD2DRD3
SCHEMBL20799617 0.82 OPRM1 (0.46) FUCA1OPRM1DRD2DRD3
SCHEMBL22773674 0.80 FUCA1 (0.53) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL29597911 0.80 FUCA1 (0.53) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL62966 0.76 OPRM1 (0.65) OPRM1DRD2
SCHEMBL5242542 0.76 FUCA1 (0.64) FUCA1DRD2DRD3GRIN2BS1PR1
SCHEMBL7294420 0.76 CHRM2 (0.45) OPRM1DRD2DRD3
SCHEMBL20799614 0.76 GRIN2B (0.50) FUCA1DRD2DRD3GRIN2BS1PR1
Hydrochloric Acid SCHEMBL1147552 0.75 OPRM1 (0.63) OPRM1DRD2
SCHEMBL15325219 0.74 OPRM1 (0.57) OPRM1

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-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 Krouzon Pharmaccuticals, Inc. (US) 2019-10-08 US disclosed
US-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 Krouzon Pharmaceuticals, Inc. 2019-03-14 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 (2 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-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 PTPN1, PTPN2, PTPN7 FUCA1 4345/4885OPRM1 2891/4885DRD2 4732/4885
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 PTPN1, PTPN2, PTPN7 FUCA1 4345/4885OPRM1 2891/4885DRD2 4732/4885

“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.