SCHEMBL2266409

SCHEMBL2266409

C[C@@]1(F)C(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
AKR1B1 P15121 1/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNMA1 Q12791 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
PDE7A Q13946 1/20 0.43
PGR P06401 3/20 0.42
IDO1 P14902 2/20 0.42
HTR6 P50406 1/20 0.42
MDM2 Q00987 6/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 1/20 0.41
CES1 P23141 1/20 0.41
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL2268819 1.00 PKM (0.47) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL19905697 1.00 PKM (0.47) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL2266416 1.00 PKM (0.47) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL2264085 0.83 PKM (0.50) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL2272299 0.81 PGR (0.55) PKMAKR1B1CMA1AHRPDE7A
SCHEMBL25255334 0.79 MEN1 (0.46) PKMAKR1B1CMA1AHRHTR6
SCHEMBL13731904 0.76 AKR1B1 (0.44) PKMAKR1B1CMA1AHRPDE7A
SCHEMBL23836087 0.76 AKR1B1 (0.44) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL23835849 0.76 AKR1B1 (0.44) PKMAKR1B1KCNQ3KCNQ2KCNQ4
SCHEMBL5344885 0.74 AHR (0.46) PKMAKR1B1KCNQ3KCNQ2KCNQ4

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 PKM 3872/4885AKR1B1 922/4885KCNQ3 3934/4885

“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.