SCHEMBL2201939

SCHEMBL2201939

CCCN(CCC)CCCCN(Cc1ccc(CN)cc1)c1ccccc1COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 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
SCHEMBL2204339 0.88 RORC (0.43) BCHEALDH1A1
SCHEMBL2201883 0.78 RORC (0.32) CA2
SCHEMBL2200592 0.76 TSHR (0.45) BCHETSHR
Hydrochloric Acid SCHEMBL2202815 0.75 TSHR (0.44) BCHETSHR
SCHEMBL12426503 0.72 BCHE (0.47) BCHECA1CA2CA4
SCHEMBL2201941 0.70 RORC (0.37) BCHEDRD2CA12CA1CA2
SCHEMBL1638251 0.69 DRD2 (0.40) BCHEDRD2CA12CA1CA2
SCHEMBL2200590 0.69 RORC (0.34) ALDH1A1
SCHEMBL15161920 0.69 DRD2 (0.44) BCHEDRD2CA12CA1CA2
Hydrochloric Acid SCHEMBL2202811 0.68 KMT2A (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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 (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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 BCHE 235/4885ALDH1A1 213/4885TSHR 2682/4885

“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.