SCHEMBL10072057

SCHEMBL10072057

CCC(C)n1c(=O)n(CC)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 3/20 0.52
ALDH1A1 P00352 5/20 0.44
PGR P06401 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
MAPK8 P45983 1/20 0.40
GABRA5 P31644 1/20 0.40
HTT P42858 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6909093 0.86 SLC6A2 (0.55) SLC6A2SLC6A4ALDH1A1PGRMEN1
SCHEMBL1859161 0.85 SLC6A2 (0.52) SLC6A2SLC6A4ALDH1A1PGRMEN1
SCHEMBL29311531 0.81 SLC6A2 (0.49) SLC6A2ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL14663982 0.80 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1PGRMEN1
SCHEMBL4621924 0.79 ALDH1A1 (0.59) SLC6A2SLC6A4ALDH1A1PGRMEN1
SCHEMBL14828688 0.79 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1PGRMAPK1
SCHEMBL8947389 0.76 HTR4 (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL14664158 0.75 SLC6A2 (0.47) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL14665167 0.73 SLC6A2 (0.45) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL5286253 0.72 CYP1A2 (0.62) ALDH1A1MEN1CYP1A2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 US disclosed
US-8063070-B2 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-11-22 US disclosed
US-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 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-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 SLC6A2 1466/4885SLC6A4 672/4885ALDH1A1 766/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC SLC6A2 1918/4885SLC6A4 948/4885ALDH1A1 910/4885

“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.