SCHEMBL3344755

SCHEMBL3344755

CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.43
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.37
HPGD P15428 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
SCHEMBL10192567 0.80 GNRHR (0.44) GNRHR
SCHEMBL10190995 0.78 GNRHR (0.43) GNRHRMAPT
SCHEMBL10191562 0.78 NPC1 (0.43) GNRHRMAPTNPC1RAB9AMEN1
SCHEMBL3327972 0.75 GNRHR (0.42) GNRHRMAPTNPC1RAB9AMEN1
SCHEMBL3320460 0.71 MAPT (0.45) MAPTMEN1KMT2AHPGD
SCHEMBL3367149 0.71 ABL1 (0.50) MAPTMEN1GAAKMT2AHPGD
SCHEMBL12058739 0.71 KMT2A (0.47) MAPTLMNAGAAKMT2A
SCHEMBL10191574 0.70 GNRHR (0.39) GNRHRMAPTMEN1LMNAHTT
SCHEMBL12058972 0.70 UBE2M (0.51) GNRHR
SCHEMBL12058648 0.69 KMT2A (0.47) MAPTLMNAGAAKMT2A

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 GNRHR 55/4885MAPT 4378/4885NPC1 2045/4885

“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.