SCHEMBL1802170

SCHEMBL1802170

COc1ccc(C(C)C)cc1-c1ccc2c(c1)C(=O)NCC1CN(C)CC21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
OTUD7B Q6GQQ9 2/20 0.39
CTSA P10619 5/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
USP7 Q93009 2/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CETP P11597 2/20 0.32

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
SCHEMBL1802166 1.00 ALDH1A1 (0.39) ALDH1A1OTUD7BCTSATLR9TLR8
SCHEMBL1802168 1.00 ALDH1A1 (0.39) ALDH1A1OTUD7BCTSATLR9TLR8
SCHEMBL860195 0.88 HPGD (0.36) ALDH1A1
SCHEMBL860194 0.88 HPGD (0.36) ALDH1A1
SCHEMBL1804083 0.87 CDK9 (0.43) CCNT1CDK9
SCHEMBL1804087 0.87 CDK9 (0.43) CCNT1CDK9
SCHEMBL1804085 0.87 CDK9 (0.43) CCNT1CDK9
SCHEMBL1804859 0.86 PTPRC (0.44) ALDH1A1PTPRCPTPN1
SCHEMBL2598944 0.86 PTPRC (0.44) ALDH1A1PTPRCPTPN1
SCHEMBL1805178 0.86 PTPRC (0.44) ALDH1A1PTPRCPTPN1

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 ALDH1A1 971/4885OTUD7B 4684/4885CTSA 3707/4885

“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.