SCHEMBL6286405

SCHEMBL6286405

CCCCCCCN(c1ccc(CN)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MC4R P32245 1/20 0.39
S1PR1 P21453 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SPHK1 Q9NYA1 3/20 0.35
HTR2A P28223 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
BCHE P06276 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
F2 P00734 1/20 0.34
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 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
SCHEMBL4496003 0.90 MC4R (0.44) CNR2THRATHRBMC4RTRPV1
SCHEMBL4474179 0.84 MC4R (0.41) CNR2THRATHRBMC4RTRPV1
SCHEMBL4471201 0.83 TRPV1 (0.41) CNR2THRATHRBMC4RTRPV1
SCHEMBL9781490 0.83 CNR2 (0.43) CNR2THRATHRBMC4RTRPV1
SCHEMBL7532689 0.82 MC4R (0.53) CNR2THRATHRBMC4RTRPV1
SCHEMBL14288494 0.82 MC4R (0.53) CNR2THRATHRBMC4RTRPV1
SCHEMBL4476492 0.81 MC4R (0.44) CNR2THRATHRBMC4RS1PR1
SCHEMBL6112003 0.81 MC4R (0.51) THRATHRBMC4RTRPV1HTR2A
SCHEMBL4488266 0.80 MC4R (0.48) CNR2THRATHRBMC4RTRPV1
SCHEMBL4477077 0.80 MC4R (0.41) CNR2THRATHRBMC4RTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CNR2 3009/4885THRA 1111/4885THRB 691/4885

“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.