SCHEMBL5407822

SCHEMBL5407822

CC1(C)CC[C@H](O)C[C@@H]1C#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.32
LMNA P02545 2/20 0.31
SHBG P04278 1/20 0.31
SERPINA6 P08185 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4472895 1.00 GPBAR1 (0.32) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL5407826 1.00 GPBAR1 (0.32) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL22986784 0.77 DPP4 (0.30)
SCHEMBL5868448 0.70 LMNA (0.39) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL6847867 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL10260567 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL10261009 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL9290693 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL12304844 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2
SCHEMBL10292100 0.69 SHBG (0.36) GPBAR1LMNASHBGSERPINA6CYP1A2

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 GPBAR1 758/4885LMNA 2226/4885SHBG 4859/4885

“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.