SCHEMBL13339934

SCHEMBL13339934

O=C1CC2(CCNCC2)Sc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.44
ELOC Q15369 1/20 0.44
ELOB Q15370 1/20 0.44
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPOX P50336 1/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 5/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 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
Hydrochloric Acid SCHEMBL3491868 0.99 VHL (0.43) VHLELOCELOBHPGDL3MBTL1
SCHEMBL13339955 0.89 PPOX (0.37) VHLELOCELOBPPOXMAPT
Hydrochloric Acid SCHEMBL3493932 0.87 PPOX (0.36) VHLELOCELOBPPOXMAPT
SCHEMBL13339864 0.83 PARP10 (0.35) HTR2CMEN1KMT2APARP1PARP10
SCHEMBL4388135 0.83 MAPT (0.35) MAPTHTR2CCHEK2PIM1CDK2
SCHEMBL13636581 0.83 MEN1 (0.40) L3MBTL1MAPTTDP1MEN1GAA
SCHEMBL13339965 0.83 KDM4E (0.40) HPGDHTR2CHTR2AHTR2BMEN1
Hydrochloric Acid SCHEMBL3494767 0.82 MAPT (0.34) MAPTHTR2CCHEK2PIM1CDK2
Hydrochloric Acid SCHEMBL3495210 0.82 PARP10 (0.34) HTR2CMEN1KMT2APARP1PARP10
Hydrochloric Acid SCHEMBL3494673 0.82 KDM4E (0.39) HTR2CHTR2AHTR2BPARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B VHL 98/4885ELOC 651/4885ELOB 957/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR VHL 2673/4885ELOC 4128/4885ELOB 4354/4885

“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.