SCHEMBL9935952

SCHEMBL9935952

CC(C)(N)CCN(C(C)(C)O)C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL989580 0.79 GRM4 (0.36) GRM4ALDH1A1
SCHEMBL465330 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8097947 0.72
SCHEMBL969629 0.71 GRM4 (0.36) GRM4
SCHEMBL98702 0.69 CA12 (0.33) ALDH1A1
SCHEMBL5688639 0.69 MAPT (0.40) ALDH1A1
SCHEMBL4561479 0.69
SCHEMBL7948131 0.69 GRM4 (0.40) GRM4
SCHEMBL4956096 0.68 CHRM2 (0.35)
Hydrochloric Acid SCHEMBL6744498 0.67 HTR1A (0.36) GRM4ALDH1A1

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
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
EP-2651876-A1 POLYAMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
WO-2012080265-A1 POLYAMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO 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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG GRM4 3013/4885ALDH1A1 1074/4885

“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.