SCHEMBL3100533

SCHEMBL3100533

CCCC(C)CN1CCNCC1CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ZDHHC9 Q9Y397 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
SCHEMBL3089274 0.87 TDP1 (0.36) TDP1TAAR1
SCHEMBL3094814 0.83 TDP1 (0.35) TDP1TAAR1ZDHHC9
SCHEMBL3103931 0.82 HTR2A (0.31) TDP1HTR2AHTR2CHTR2B
SCHEMBL9801695 0.80 TDP1 (0.34) TDP1TAAR1
SCHEMBL9801217 0.80 TDP1 (0.34) TDP1TAAR1ZDHHC9
SCHEMBL5474455 0.78 TDP1 (0.34) TDP1
SCHEMBL3106339 0.77 TDP1 (0.35) TDP1TAAR1
SCHEMBL3110597 0.77 TAAR1 (0.43) TDP1TAAR1HTR2C
Hydrochloric Acid SCHEMBL28058920 0.75 TAAR1 (0.42) TDP1TAAR1
Hydrochloric Acid SCHEMBL28058916 0.75 TAAR1 (0.42) TDP1TAAR1

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 6 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
CN-101835820-B Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2012-11-21 CN 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
CN-101835820-A Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2010-09-15 CN 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 TDP1 3131/4885TAAR1 448/4885HTR2A 3524/4885

“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.