SCHEMBL29710109

SCHEMBL29710109

C[C@]1(C#N)CCN(Cc2ccccc2)C[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
ALDH1A1 P00352 3/20 0.47
SIGMAR1 Q99720 3/20 0.45
OPRL1 P41146 1/20 0.44
FUCA1 P04066 2/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRK1 P41145 1/20 0.42

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
SCHEMBL16915737 1.00 OPRM1 (0.51) OPRM1ALDH1A1SIGMAR1OPRL1FUCA1
SCHEMBL16926718 1.00 OPRM1 (0.51) OPRM1ALDH1A1SIGMAR1OPRL1FUCA1
SCHEMBL16926353 1.00 OPRM1 (0.51) OPRM1ALDH1A1SIGMAR1OPRL1FUCA1
SCHEMBL20473610 1.00 OPRM1 (0.51) OPRM1ALDH1A1SIGMAR1OPRL1FUCA1
SCHEMBL16915579 1.00 OPRM1 (0.51) OPRM1ALDH1A1SIGMAR1OPRL1FUCA1
SCHEMBL14001237 0.85 OPRM1 (0.52) OPRM1ALDH1A1SIGMAR1OPRL1POLB
SCHEMBL4481641 0.81 OPRL1 (0.54) ALDH1A1SIGMAR1OPRL1FUCA1POLB
SCHEMBL16659923 0.81 OPRL1 (0.54) ALDH1A1SIGMAR1OPRL1FUCA1POLB
SCHEMBL14702321 0.81 ALDH1A1 (0.53) ALDH1A1SIGMAR1OPRL1FUCA1POLB
SCHEMBL5155047 0.81 OPRL1 (0.54) ALDH1A1SIGMAR1OPRL1FUCA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
US-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-11-03 US disclosed
US-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2022-08-02 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-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN2 OPRM1 3840/4885ALDH1A1 3062/4885SIGMAR1 3383/4885
US-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 OPRM1 3840/4885ALDH1A1 3062/4885SIGMAR1 3383/4885

“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.