SCHEMBL3103755

SCHEMBL3103755

CCCCCN1CCNCC1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.40
GNAI3 P08754 6/20 0.40
GNAI1 P63096 6/20 0.40
TAAR1 Q96RJ0 1/20 0.37
GBA1 P04062 3/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GBA2 Q9HCG7 5/20 0.33
GAA P10253 2/20 0.33
SOD3 P08294 1/20 0.33

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
SCHEMBL3106220 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1TAAR1GBA1
SCHEMBL23921639 0.98 GNAO1 (0.42) GNAO1GNAI3GNAI1TAAR1GBA1
SCHEMBL3106518 0.94 TAAR1 (0.38) GNAO1GNAI3GNAI1TAAR1GBA1
SCHEMBL3100349 0.86 TAAR1 (0.37) TAAR1GBA1
SCHEMBL13418867 0.86 TAAR1 (0.37) TAAR1GBA1
SCHEMBL18705797 0.86 TAAR1 (0.37) TAAR1GBA1
Hydrochloric Acid SCHEMBL28320680 0.85 TAAR1 (0.36) GNAO1GNAI3GNAI1TAAR1GBA1
Hydrochloric Acid SCHEMBL16109740 0.85 TAAR1 (0.36) GNAO1GNAI3GNAI1TAAR1GBA1
Hydrochloric Acid SCHEMBL28320682 0.85 TAAR1 (0.36) GNAO1GNAI3GNAI1TAAR1GBA1
Hydrochloric Acid SCHEMBL28320838 0.85 TAAR1 (0.36) GNAO1GNAI3GNAI1TAAR1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP 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-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 GNAO1 2915/4885GNAI3 3947/4885GNAI1 3506/4885

“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.