SCHEMBL3347288

SCHEMBL3347288

C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@H](C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
AR P10275 2/20 0.39
EGFR P00533 1/20 0.39
EPHX2 P34913 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL3345789 0.87 MAPT (0.42) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3367450 0.85 MAPT (0.44) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3321999 0.81 BRAF (0.51) BRAFKDRMAPTKDM4EMEN1
SCHEMBL10192288 0.80 EPHX2 (0.46) BRAFKDRMAPTMEN1KMT2A
SCHEMBL10191014 0.76 GNRHR (0.38) BRAFKDRMAPTMEN1KMT2A
SCHEMBL12058965 0.72 MAPT (0.49) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL13370597 0.71 MAPT (0.58) MAPTMEN1ALDH1A1KMT2A
SCHEMBL13716211 0.71 MAPT (0.58) MAPTMEN1ALDH1A1KMT2A
SCHEMBL3346715 0.71 HCRTR1 (0.43) BRAFKDRMAPTKMT2APOLB
SCHEMBL10190932 0.70 MAPT (0.45) MAPTALDH1A1HPGDPOLB

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-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R BRAF 3058/4885KDR 895/4885MAPT 4378/4885

“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.