SCHEMBL16670328

SCHEMBL16670328

CCNc1ccc2c(c1)CCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.43
WNT3A P56704 6/20 0.43
QPCT Q16769 1/20 0.42
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NOTUM Q6P988 1/20 0.39
RIPK1 Q13546 1/20 0.39
PRKCI P41743 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RX3 P56373 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PKLR P30613 1/20 0.37
PIR O00625 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
SCHEMBL3801450 0.90 TAS1R3 (0.45) QPCTDYRK1APRKCIGAAPOLB
SCHEMBL23432653 0.81 TRIM24 (0.44) CTNNB1WNT3AQPCTTRIM24BRD1
SCHEMBL29546196 0.81 TRIM24 (0.44) CTNNB1WNT3AQPCTTRIM24BRD1
SCHEMBL24783881 0.79 TRIM24 (0.43) CTNNB1WNT3AQPCTTRIM24BRD1
SCHEMBL23818419 0.78 HTT (0.47) CTNNB1WNT3AQPCTTRIM24BRD1
SCHEMBL3523954 0.78 GAA (0.58) GAAPOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL23639170 0.77 CHRM2 (0.40) QPCTGAAPOLBSMN1; SMN2TAS1R3
SCHEMBL31479894 0.77 CTNNB1 (0.43) CTNNB1WNT3AGAAPOLBSMN1; SMN2
SCHEMBL7212426 0.75 ALDH1A1 (0.53) GAAPOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL10747423 0.75 ALDH1A1 (0.53) GAAPOLBMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G CTNNB1 4408/4885WNT3A 4050/4885QPCT 1352/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E CTNNB1 4436/4885WNT3A 4184/4885QPCT 1157/4885

“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.