SCHEMBL20103628

SCHEMBL20103628

O=C(c1cncc(OCc2ccccc2)c1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIRT2 Q8IXJ6 11/20 0.52
SIRT3 Q9NTG7 8/20 0.52
SIRT1 Q96EB6 7/20 0.52
NR4A2 P43354 2/20 0.50
MAOB P27338 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
SMPD1 P17405 1/20 0.46
KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL1201866 0.84 MEN1 (0.70) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL30822583 0.84 MEN1 (0.70) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL2197204 0.83 MEN1 (0.68) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL27189439 0.82 MEN1 (0.56) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL22717033 0.82 NR4A2 (0.70) MEN1KMT2ANR4A2MAOBSMPD1
SCHEMBL2197201 0.81 PTGER1 (0.59) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL20819388 0.80 MEN1 (0.54) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL1202881 0.80 SIRT2 (0.59) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL19251587 0.78 SIRT2 (0.62) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL20103304 0.77 CYP2C9 (0.57) MEN1KMT2AHTTGFERHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO 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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 MEN1 4514/4885KMT2A 3114/4885HTT 3053/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 MEN1 4514/4885KMT2A 3114/4885HTT 3053/4885

“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.