SCHEMBL4776950

SCHEMBL4776950

CCC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.70
HTR1A P08908 4/20 0.68
HTR7 P34969 3/20 0.68
TSHR P16473 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HTR2A P28223 1/20 0.66
HTR6 P50406 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA9 Q16790 1/20 0.64
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL17884620 0.88 MEN1 (0.76) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL264542 0.86 MEN1 (0.74) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL19002446 0.85 DRD2 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL12377877 0.85 TSHR (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL20708381 0.84 TSHR (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL19002651 0.84 ADAMTS5 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL22892232 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL4352910 0.84 MEN1 (0.79) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL13453343 0.83 HTR1A (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL12419699 0.83 AKR1C3 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2HTR1A

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885MEN1 4080/4885KMT2A 3544/4885

“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.