SCHEMBL2267441

SCHEMBL2267441

CC(C)Cn1c(=O)n(C(=O)O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
AGER Q15109 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL3301756 0.81 TMEM97 (0.51) APEX1ALDH1A1MEN1KMT2AGAA
SCHEMBL7645474 0.76 APEX1 (0.48) KDM4EAPEX1SMN1; SMN2GAAPOLB
SCHEMBL8947427 0.76 KDM4E (0.54) KDM4EL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL8229445 0.76 AGER (0.62) SMN1; SMN2L3MBTL1TSHRHSD17B10TDP1
SCHEMBL2963786 0.75 HTR4 (0.53) POLB
SCHEMBL8947389 0.73 HTR4 (0.41) KDM4EL3MBTL1TSHRALDH1A1HPGD
SCHEMBL3825708 0.72 TSHR (0.57) KDM4ESMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL7343281 0.72 HTR4 (0.80) CNR2
SCHEMBL8947409 0.72 HTR4 (0.80) CNR2
SCHEMBL3300277 0.72 ALDH1A1 (0.49) KDM4ESMN1; SMN2L3MBTL1HSD17B10ALDH1A1

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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 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 (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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH KDM4E 3151/4885APEX1 4744/4885SMN1; SMN2 4046/4885

“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.