SCHEMBL2204055

SCHEMBL2204055

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
DPP4 P27487 1/20 0.42
LTA4H P09960 1/20 0.41
NSD2 O96028 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEP1B Q16820 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL12509950 0.91 RORC (0.46) RORC
SCHEMBL12509866 0.89 RORC (0.47) RORCLTA4HNSD2LTB4R2HRH3
SCHEMBL1638251 0.85 DRD2 (0.40) RORCLTA4HHRH3
SCHEMBL2201240 0.81 RORC (0.53) RORCHRH3
SCHEMBL12509869 0.79 LTA4H (0.36) LTA4HHRH3
SCHEMBL4847536 0.79 RORC (0.50) RORCLTA4HPOLB
SCHEMBL2203028 0.79 RORC (0.53) RORCNSD2LTB4R2HRH3
SCHEMBL1636560 0.78 CXCR4 (0.55) LTA4H
SCHEMBL2945207 0.78 ALDH1A1 (0.45) LTA4HPOLB
SCHEMBL12426408 0.77 LTA4H (0.41) RORCLTA4H

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 4 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-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
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 4375/4885DPP4 2073/4885LTA4H 645/4885

“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.