SCHEMBL1809207

SCHEMBL1809207

CC(=O)N1CC[C@@H]2CN(C(=O)O)C[C@H]2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.49
BRD4 O60885 4/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
CREBBP Q92793 1/20 0.39
CNR2 P34972 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1809206 1.00 NOTUM (0.49) NOTUMBRD4BRD2BRD3CREBBP
SCHEMBL1809209 1.00 NOTUM (0.49) NOTUMBRD4BRD2BRD3CREBBP
SCHEMBL1805148 0.84 HTR2A (0.40) NOTUMCREBBP
SCHEMBL1805150 0.84 HTR2A (0.40) NOTUMCREBBP
SCHEMBL1805149 0.84 HTR2A (0.40) NOTUMCREBBP
SCHEMBL9836188 0.80 NOTUM (0.56) NOTUMBRD4CREBBPCYP2C9
SCHEMBL1806368 0.78 CACNA1G (0.45) BRD4
SCHEMBL1806370 0.78 CACNA1G (0.45) BRD4
SCHEMBL1806367 0.78 CACNA1G (0.45) BRD4
SCHEMBL1802395 0.76 NOTUM (0.48) NOTUMBRD4BRD2BRD3CREBBP

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-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 NOTUM 3613/4885BRD4 2085/4885BRD2 1985/4885

“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.