SCHEMBL2014418

SCHEMBL2014418

CC(C)(C)OC(=O)N1CCN2c3cccc(F)c3NC(=O)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
USP30 Q70CQ3 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
BACE1 P56817 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
GPR119 Q8TDV5 3/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
OPRL1 P41146 1/20 0.37

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
SCHEMBL2015351 0.90 USP30 (0.42) SCN9AUSP30SIGMAR1BACE1HDAC6
SCHEMBL691667 0.85 OPRL1 (0.41) SIGMAR1OPRL1
SCHEMBL2013375 0.84 SIGMAR1 (0.45) SCN9AUSP30SIGMAR1BACE1HDAC6
SCHEMBL1350836 0.84 SIGMAR1 (0.45) SCN9AUSP30SIGMAR1BACE1HDAC6
SCHEMBL2015857 0.83 USP30 (0.41) SCN9AUSP30SIGMAR1BACE1HDAC6
SCHEMBL24187416 0.82 SCN9A (0.49) SCN9AUSP30SIGMAR1HDAC6GPR119
SCHEMBL2017220 0.80 PAK1 (0.42) SCN9AUSP30HDAC6GPR119SMARCA2
SCHEMBL31436229 0.79 DDB1 (0.45) USP30TP53THRBCRBN
SCHEMBL2013376 0.79 DRD2 (0.48) SIGMAR1TP53OPRL1
SCHEMBL2014167 0.79 DRD2 (0.48) SIGMAR1TP53OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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 (3 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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885USP30 4276/4885SIGMAR1 77/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885USP30 4276/4885SIGMAR1 77/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D SCN9A 891/4885USP30 4276/4885SIGMAR1 77/4885

“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.