SCHEMBL13438680

SCHEMBL13438680

N[C@H]1CC[C@H](CNc2cccc(OC(F)(F)C(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
PRKCA P17252 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PIM1 P11309 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
F10 P00742 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MAPT P10636 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
FGFR1 P11362 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL11934812 1.00 EPHX2 (0.43) EPHX2ABL1BCRPRKCALMNA
SCHEMBL17090095 0.80 EPHX2 (0.40) EPHX2ABL1BCRLMNAPOLB
SCHEMBL17090127 0.80 EPHX2 (0.40) EPHX2ABL1BCRLMNAPOLB
SCHEMBL13438692 0.78 ALDH1A1 (0.42) EPHX2POLBMAPT
SCHEMBL11934817 0.78 ALDH1A1 (0.42) EPHX2POLBMAPT
SCHEMBL11934847 0.77 HDAC4 (0.45) LMNAF10MAPT
SCHEMBL13438720 0.77 HDAC4 (0.45) LMNAF10MAPT
SCHEMBL13439179 0.77 RXFP1 (0.49) LMNAPIM1CDK1
SCHEMBL1241972 0.77 PIM1 (0.48) EPHX2POLBPIM1MAPT
SCHEMBL11935445 0.77 RXFP1 (0.49) LMNAPIM1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R EPHX2 1628/4885ABL1 709/4885BCR 2251/4885

“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.