SCHEMBL2230403

SCHEMBL2230403

COC1N(C2CCCCC2)CCN1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.32
CHRM2 P08172 2/20 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
SCHEMBL2230464 0.76 POLB (0.37)
SCHEMBL2233502 0.73 NPC1 (0.33)
SCHEMBL27447206 0.72 LMNA (0.33)
Hydrochloric Acid SCHEMBL7772072 0.70 LMNA (0.33)
SCHEMBL24784993 0.67 LMNA (0.32)
SCHEMBL15598973 0.66
SCHEMBL20458208 0.65 GAA (0.34) CHRM2
SCHEMBL19052013 0.65 LMNA (0.31)
SCHEMBL633803 0.63 HRH3 (0.36) CHRM2
SCHEMBL18768680 0.63 HRH3 (0.36) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8350051-B2 Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
US-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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 (4 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-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND BCKDK, PDK4, HK1 ABCB1 3248/4885CHRM2 3904/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT ABCB1 3546/4885CHRM2 244/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 ABCB1 4097/4885CHRM2 557/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C ABCB1 4777/4885CHRM2 196/4885

“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.