SCHEMBL2200366

SCHEMBL2200366

CCCN(CCC)CCCCN(Cc1ccc(C#N)cc1)Cc1ccc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
HRH3 Q9Y5N1 2/20 0.39
BCHE P06276 1/20 0.38
CYP2A6 P11509 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
SCHEMBL2201240 0.85 RORC (0.53) RORCHRH3CYP2A6
SCHEMBL15831721 0.79 HRH3 (0.59) RORCHRH3CYP2A6
SCHEMBL2201741 0.79 RORC (0.48) RORCHRH3CYP2A6
SCHEMBL2200787 0.76 MAOA (0.49) RORCBCHE
SCHEMBL2204043 0.76 RORC (0.49) RORCHRH3CYP2A6
SCHEMBL19088665 0.76 HRH3 (0.64) RORCHRH3BCHECYP2A6
SCHEMBL1637428 0.76 SIGMAR1 (0.48) RORCHRH3CYP2A6
SCHEMBL10990552 0.75 TSHR (0.57) RORCHRH3CYP2A6
Hydrochloric Acid SCHEMBL2205187 0.74 SIGMAR1 (0.47) RORCHRH3CYP2A6
SCHEMBL1636483 0.73 RORC (0.51) RORCBCHE

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 4375/4885HRH3 132/4885BCHE 235/4885

“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.