SCHEMBL2204036

SCHEMBL2204036

CCCN(CCC)C(CCCN)Cc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA1 P00915 4/20 0.41
SIGMAR1 Q99720 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4947147 0.86 CA2 (0.40) CA2CA1SIGMAR1SMN1; SMN2MEN1
SCHEMBL2201874 0.79 SIGMAR1 (0.33) SIGMAR1SMN1; SMN2KMT2A
SCHEMBL2204034 0.76 CA2 (0.42) CA2CA1SIGMAR1SMN1; SMN2
SCHEMBL15551980 0.69 CA2 (0.68) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL11586020 0.69 CA2 (0.68) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL4947145 0.67 CA2 (0.42) CA2CA1SIGMAR1SMN1; SMN2
SCHEMBL77617 0.66 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL715116 0.66 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL77618 0.66 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL2204041 0.65 CXCR4 (0.41) CA2CA1SIGMAR1SMN1; SMN2MEN1

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 CA2 1761/4885CA1 3598/4885SIGMAR1 180/4885

“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.