SCHEMBL2265792

SCHEMBL2265792

CC1(F)C(=O)Nc2cc(F)c(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.37
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
ATAD2 Q6PL18 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B1 P15121 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 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
SCHEMBL7825677 0.82 PGR (0.50) PGRPDK2PDK4ATAD2PDE3B
SCHEMBL2267056 0.80 KMT2A (0.38) PGRPDK2PDK4ATAD2POLB
SCHEMBL2265422 0.80 KMT2A (0.38) PGRPDK2PDK4ATAD2POLB
SCHEMBL2265427 0.80 KMT2A (0.38) PGRPDK2PDK4ATAD2POLB
SCHEMBL24897752 0.79 IDO1 (0.36) PGRPOLBCASP6CYP1A2MAPT
SCHEMBL29860253 0.72 PGR (0.44) PGRPDE3BPDE3ACYP1A2MAPT
SCHEMBL2266409 0.72 PKM (0.47) PGRMAPTAKR1B1
SCHEMBL2266416 0.72 PKM (0.47) PGRMAPTAKR1B1
SCHEMBL25255334 0.72 MEN1 (0.46) MAPTKMT2AAKR1B1
SCHEMBL19905697 0.72 PKM (0.47) PGRMAPTAKR1B1

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 PGR 280/4885PDK2 2556/4885PDK4 2817/4885

“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.