SCHEMBL10077597

SCHEMBL10077597

CCC(CC)C1CCC(O)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.54
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35

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
SCHEMBL18435053 0.81 SHBG (0.43) SHBG
SCHEMBL12424437 0.79 SHBG (0.52) SHBGLMNACYP2C9DPP4DPP7
SCHEMBL17198162 0.79 SHBG (0.52) SHBGLMNACYP2C9DPP4DPP7
SCHEMBL4843035 0.79 SHBG (0.52) SHBGLMNACYP2C9DPP4DPP7
SCHEMBL18862407 0.76 SHBG (0.43) SHBG
SCHEMBL910914 0.76
Water SCHEMBL10629881 0.73
SCHEMBL18685378 0.73 SHBG (0.34) SHBG
SCHEMBL4888692 0.72 SHBG (0.42) SHBGLMNACYP2C9DPP4DPP7
SCHEMBL6757996 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040992-A1 OLIGOOXOPIPERAZINES AND METHODS OF MAKING AND USING THEM NEW YORK UNIVERSITY (US) 2012-02-16 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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 (2 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-20120040992-A1 OLIGOOXOPIPERAZINES AND METHODS OF MAKING AND USING THEM THOP1, NPY5R, DHPS SHBG 855/4885LMNA 3438/4885CYP2C9 3599/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A SHBG 1281/4885LMNA 3945/4885CYP2C9 315/4885

“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.