SCHEMBL5415366

SCHEMBL5415366

CCC(=O)NC1CCC(Oc2ccc3[nH]ncc3c2OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.39
LDHA P00338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
PIK3CD O00329 1/20 0.38
NTRK1 P04629 1/20 0.37
FASN P49327 1/20 0.37
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5415357 1.00 MAP4K1 (0.39) MAP4K1LDHAKDM4EALDH1A1KMT2A
SCHEMBL5410973 0.88 TRPV1 (0.40) MAP4K1LDHATRPV1MTNR1AMTNR1B
SCHEMBL5410966 0.88 TRPV1 (0.40) MAP4K1LDHATRPV1MTNR1AMTNR1B
SCHEMBL5415829 0.88 TRPV1 (0.38) MAP4K1TRPV1MTNR1AMTNR1BCYP1A2
SCHEMBL5415824 0.88 TRPV1 (0.38) MAP4K1TRPV1MTNR1AMTNR1BCYP1A2
SCHEMBL5415821 0.88 TRPV1 (0.38) MAP4K1TRPV1MTNR1AMTNR1BCYP1A2
SCHEMBL5419481 0.86 PIK3CD (0.38) MAP4K1LDHAKDM4EALDH1A1KMT2A
SCHEMBL5419485 0.86 PIK3CD (0.38) MAP4K1LDHAKDM4EALDH1A1KMT2A
SCHEMBL5408236 0.84 TRPV1 (0.38) MAP4K1LDHAKDM4EALDH1A1KMT2A
SCHEMBL5408242 0.84 TRPV1 (0.38) MAP4K1LDHAKDM4EALDH1A1KMT2A

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAP4K1 109/4885LDHA 4668/4885KDM4E 1759/4885

“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.