SCHEMBL13593943

SCHEMBL13593943

O=C(Nc1nccc2ccccc12)C1(c2ccccc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
ROCK2 O75116 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
TACR1 P25103 1/20 0.44
KHK P50053 1/20 0.43
ELOVL1 Q9BW60 2/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
OPRM1 P35372 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PKM P14618 1/20 0.41
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2857749 0.91 ALDH1A1 (0.51) HDAC1ALDH1A1HTTLMNANPSR1
SCHEMBL2861545 0.88 HTT (0.57) HDAC1ALDH1A1HTTLMNANPSR1
SCHEMBL2858307 0.77 P2RX7 (0.57) HDAC1ALDH1A1HTTLMNANPSR1
SCHEMBL13593944 0.76 ALDH1A1 (0.51) ALDH1A1HTTLMNAPKM
SCHEMBL5366031 0.75 HTT (0.60) HDAC1ALDH1A1HTTLMNANPSR1
SCHEMBL2469907 0.73 KDM4E (0.44) TACR1OPRM1DRD2DRD3KCNH2
SCHEMBL2864732 0.73 P2RX7 (0.55) ALDH1A1HTTNPSR1ITGB1ITGA4
SCHEMBL7599559 0.73 FDPS (0.54) ALDH1A1LMNABRD4CREBBPDRD2
SCHEMBL29825764 0.73 FDPS (0.54) ALDH1A1LMNABRD4CREBBPDRD2
SCHEMBL13183027 0.72 L3MBTL1 (0.54) HDAC1ROCK2ALDH1A1HTTLMNA

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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 HDAC1 297/4885ROCK2 3747/4885ALDH1A1 3941/4885

“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.