SCHEMBL4134868

SCHEMBL4134868

NC(=O)C1(C(=O)O)CC1c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.48
RCOR1 Q9UKL0 4/20 0.48
HDAC4 P56524 1/20 0.42
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRK2 P25098 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL28524795 0.92 KDM1A (0.51) KDM1ARCOR1HDAC4PARP1TSHR
SCHEMBL2401865 0.84 KDM1A (0.46) KDM1A
SCHEMBL4134001 0.84 KDM1A (0.47) KDM1ARCOR1PARP1HTR2AHTR2C
SCHEMBL4133969 0.83 KDM1A (0.44) KDM1ARCOR1HDAC4
SCHEMBL4150540 0.78 KDM1A (0.40) KDM1ARCOR1HTR2CHTR2B
SCHEMBL307974 0.77 KDM1A (0.48) KDM1A
SCHEMBL28526078 0.75 KDM1A (0.50) KDM1ARCOR1PARP1HTR2AHTR2C
SCHEMBL28520614 0.75 KDM1A (0.50) KDM1ARCOR1PARP1HTR2AHTR2C
SCHEMBL28511550 0.74 KDM1A (0.45) KDM1ARCOR1HTR2CHTR2BMEN1
SCHEMBL4134830 0.73 KDM1A (0.41) KDM1ARCOR1KMT2A

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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO 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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A KDM1A 3105/4885RCOR1 2462/4885HDAC4 2325/4885

“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.