SCHEMBL10216801

SCHEMBL10216801

CC(C)C1CCC2(CC1)CNC(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 2/20 0.35
CDK8 P49336 2/20 0.31
CDK19 Q9BWU1 2/20 0.31
SMO Q99835 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
CCNC P24863 1/20 0.30

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
SCHEMBL26798272 0.82 LMNA (0.34) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL10216998 0.82 LMNA (0.34) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL20011130 0.80 TSHR (0.41) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL14670896 0.79 HSD11B1 (0.30) TSHR
SCHEMBL519126 0.77
SCHEMBL22813396 0.77 LMNA (0.41) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL3741554 0.74 LMNA (0.39) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1700728 0.74 LMNA (0.39) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL4021447 0.74 LMNA (0.39) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL4021446 0.74 LMNA (0.39) LMNACHRM2ADRA2ACYP2D6TSHR

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 LMNA 762/4885CHRM2 3491/4885ADRA2A 1161/4885

“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.