SCHEMBL2201941

SCHEMBL2201941

CCCN(CCC)CCCCN(Cc1ccc(CN)cc1)C(OC(C)=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 2/20 0.36
BCHE P06276 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
ACKR3 P25106 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL2204341 0.87 RORC (0.47) RORCBCHEMEN1KMT2AACHE
SCHEMBL2200590 0.84 RORC (0.34) RORCKMT2A
Hydrochloric Acid SCHEMBL2202811 0.83 KMT2A (0.34) RORCKMT2A
SCHEMBL2201884 0.77 SLC6A9 (0.35) RORCBCHEMEN1KMT2AACHE
SCHEMBL1636443 0.76 KMT2A (0.36) CA12CA1CA2CA4DRD2
SCHEMBL1636445 0.74 MAPT (0.32) RORCCA12CA1CA2CA4
SCHEMBL2200592 0.73 TSHR (0.45) BCHEKMT2A
Hydrochloric Acid SCHEMBL2202815 0.72 TSHR (0.44) BCHEKMT2A
SCHEMBL2203829 0.72 BCHE (0.38) RORCCA1CA2BCHEACHE
SCHEMBL2203823 0.72 BCHE (0.38) RORCCA1CA2BCHEACHE

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 RORC 4375/4885CA12 3312/4885CA1 3598/4885

“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.