SCHEMBL17239353

SCHEMBL17239353

O=C(O)N1CC[C@@H](F)[C@@H](Nc2ccc3ccccc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.43
FAAH O00519 2/20 0.42
PDE10A Q9Y233 5/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL15896749 0.84 USP30 (0.46) NPC1RAB9APDE10AUSP30
SCHEMBL17248129 0.79 HCRTR2 (0.55) PDE10AHCRTR1HCRTR2HDAC3HDAC4
SCHEMBL1012347 0.75 HDAC3 (0.58) NPC1RAB9AFAAHPDE10AHDAC3
SCHEMBL15880216 0.71 DDB1 (0.46) NPC1RAB9AHCRTR1HCRTR2DDB1
SCHEMBL1699050 0.70 NPC1 (0.58) NPC1RAB9APDE10AHCRTR1HCRTR2
SCHEMBL1708932 0.70 NPC1 (0.58) NPC1RAB9APDE10AHCRTR1HCRTR2
SCHEMBL2348876 0.70 NPSR1 (0.45) KMT2ATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL17239105 0.70 DDB1 (0.45) NPC1RAB9AHCRTR1HCRTR2DDB1
SCHEMBL26645905 0.70 NPSR1 (0.45) KMT2ATSHRSMN1; SMN2
SCHEMBL14312051 0.70 JAK2 (0.42) JAK3

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-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 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-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NPC1 858/4885RAB9A 1813/4885FAAH 106/4885

“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.