SCHEMBL1804006

SCHEMBL1804006

COc1ccc(F)c(-c2ccc3c(c2)C(=O)NC[C@H]2CN(C)C[C@H]32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 2/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
FFAR1 O14842 6/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FPR2 P25090 2/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL1804009 1.00 KDM1A (0.38) KDM1AKDM1BSLC6A2SLC6A4SLC6A3
SCHEMBL1804011 1.00 KDM1A (0.38) KDM1AKDM1BSLC6A2SLC6A4SLC6A3
SCHEMBL1804465 0.92 KDM1A (0.38) KDM1AKDM1BSLC6A2SLC6A4SLC6A3
SCHEMBL1807127 0.89 RYR2 (0.40) SLC6A2SLC6A4SLC6A3CDK5CDK5R1
SCHEMBL2598921 0.89 RYR2 (0.40) SLC6A2SLC6A4SLC6A3CDK5CDK5R1
SCHEMBL2598925 0.89 RYR2 (0.40) SLC6A2SLC6A4SLC6A3CDK5CDK5R1
SCHEMBL1807130 0.89 RYR2 (0.40) SLC6A2SLC6A4SLC6A3CDK5CDK5R1
SCHEMBL1804282 0.88 CYP1A1 (0.43) CDK5CDK5R1BACE1KDM4EALDH1A1
SCHEMBL1804281 0.88 CYP1A1 (0.43) CDK5CDK5R1BACE1KDM4EALDH1A1
SCHEMBL1804284 0.88 CYP1A1 (0.43) CDK5CDK5R1BACE1KDM4EALDH1A1

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 KDM1A 2052/4885KDM1B 1677/4885SLC6A2 369/4885

“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.