SCHEMBL1804643

SCHEMBL1804643

CN1CC2CNC(=O)c3cc(-c4ccc5c(c4)CCO5)ccc3C2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ERN1 O75460 3/20 0.38
DYRK1A Q13627 3/20 0.36
FABP4 P15090 2/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 1/20 0.34
NTRK1 P04629 1/20 0.34
FLT3 P36888 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
WDR5 P61964 1/20 0.34
CLK1 P49759 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
FABP3 P05413 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK2 Q92630 1/20 0.33

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
SCHEMBL1804640 1.00 BRD4 (0.39) BRD4CREBBPERN1DYRK1AFABP4
SCHEMBL1804638 1.00 BRD4 (0.39) BRD4CREBBPERN1DYRK1AFABP4
SCHEMBL1805389 0.92 PRKAB2 (0.33) BRD4CREBBPNTRK1FLT3NTRK3
SCHEMBL1805393 0.92 PRKAB2 (0.33) BRD4CREBBPNTRK1FLT3NTRK3
SCHEMBL1805391 0.92 PRKAB2 (0.33) BRD4CREBBPNTRK1FLT3NTRK3
SCHEMBL1807031 0.90 FABP6 (0.34)
SCHEMBL1807030 0.90 FABP6 (0.34)
SCHEMBL1807033 0.90 FABP6 (0.34)
SCHEMBL860635 0.81 BRD4 (0.36) BRD4NTRK1FLT3NTRK3NTRK2
SCHEMBL860636 0.81 BRD4 (0.36) BRD4NTRK1FLT3NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP claimed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C BRD4 2085/4885CREBBP 3478/4885ERN1 4806/4885

“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.