SCHEMBL3326563

SCHEMBL3326563

O=C(O)[C@H]1CC[C@@H](Nc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NOTUM Q6P988 1/20 0.44
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
VCP P55072 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
LTA4H P09960 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
SCHEMBL3325375 1.00 KMT2A (0.45) KMT2ANPC1RAB9ANOTUMEPHX1
SCHEMBL3325371 1.00 KMT2A (0.45) KMT2ANPC1RAB9ANOTUMEPHX1
SCHEMBL4076981 0.84 GAA (0.50) KMT2ANPC1RAB9AEPHX1ALDH1A1
SCHEMBL2371606 0.84 GAA (0.50) KMT2ANPC1RAB9AEPHX1ALDH1A1
SCHEMBL539395 0.83 DDB1 (0.46) NPC1RAB9AEPHX1LMNAHDAC8
SCHEMBL25265045 0.83 FPR2 (0.44) KMT2ANPC1RAB9AEPHX1HDAC8
SCHEMBL25184928 0.83 FPR2 (0.44) KMT2ANPC1RAB9AEPHX1HDAC8
Hydrochloric Acid SCHEMBL2400195 0.82 GAA (0.49) KMT2ANPC1RAB9AEPHX1ALDH1A1
Hydrochloric Acid SCHEMBL2400192 0.82 GAA (0.49) KMT2ANPC1RAB9AEPHX1ALDH1A1
Hydrochloric Acid SCHEMBL1918398 0.81 DDB1 (0.44) NPC1RAB9AEPHX1LMNAHDAC8

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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
CN-101374825-A Cyclohexyl piperazinyl methanone derivatives and their use as histamine h3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 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 (2 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 KMT2A 291/4885NPC1 564/4885RAB9A 2912/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 KMT2A 291/4885NPC1 564/4885RAB9A 2912/4885

“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.