SCHEMBL3243301

SCHEMBL3243301

Cc1ccc(CN2CCN(c3ccccc3C(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
ATM Q13315 3/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
FAAH O00519 1/20 0.54
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
SLC6A4 P31645 1/20 0.53
GAA P10253 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4527775 0.90 DRD4 (0.57) LMNASMN1; SMN2ATMKMT2AALDH1A1
SCHEMBL8745020 0.86 ITGB3 (0.52) LMNASMN1; SMN2ATMALDH1A1DRD2
SCHEMBL8168762 0.82 LMNA (0.66) LMNAPOLBSMN1; SMN2ATMKDM4E
SCHEMBL2327148 0.82 DRD4 (0.55) LMNAATMMAPK1ALDH1A1DRD2
SCHEMBL7469793 0.81 DRD4 (0.57) LMNASMN1; SMN2ATMKMT2AALDH1A1
Hydrochloric Acid SCHEMBL2688554 0.81 DRD4 (0.54) LMNAATMMAPK1ALDH1A1DRD2
SCHEMBL6030752 0.80 LMNA (0.67) LMNAPOLBATMKDM4EALDH1A1
SCHEMBL8048603 0.79 ALDH1A1 (0.61) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20140202 0.79 HTR7 (0.55) ATMKDM4EALDH1A1DRD2DRD4
SCHEMBL4520079 0.78 ALDH1A1 (0.68) LMNAPOLBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 LMNA 3364/4885POLB 2710/4885SMN1; SMN2 4546/4885

“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.