SCHEMBL774380

SCHEMBL774380

C[C@H]1C(N)=C[C@H]2C[C@@H]1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL775459 1.00 ALDH1A1 (0.35) ALDH1A1
SCHEMBL788339 1.00 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL4040356 0.98 ALDH1A1 (0.34) ALDH1A1
SCHEMBL868850 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3956646 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2840915 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL292192 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8712083 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2844350 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5934323 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US claimed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US claimed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 ALDH1A1 2532/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 ALDH1A1 1799/4885

“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.