SCHEMBL16132829

SCHEMBL16132829

CC(C)c1ccc(C(=O)OC2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
STS P08842 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP19A1 P11511 1/20 0.47

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
SCHEMBL14207663 0.87 SCN2A (0.61) POLBMEN1KMT2ASTSSMN1; SMN2
SCHEMBL7412930 0.86 POLB (0.57) POLBMEN1KMT2ASTSSMN1; SMN2
SCHEMBL19226482 0.84 SCN1A (0.71) POLBMEN1KMT2ALMNAL3MBTL1
SCHEMBL13144168 0.84 HTT (0.51) POLBMEN1KMT2ASTSSMN1; SMN2
SCHEMBL110657 0.84 SMN1; SMN2 (0.68) MEN1KMT2ASTSSMN1; SMN2HTT
SCHEMBL13144169 0.83 HTT (0.53) MEN1KMT2ASTSSMN1; SMN2HTT
SCHEMBL16691835 0.83 POLB (0.51) POLBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL24848168 0.83 MEN1 (0.46) POLBMEN1KMT2ASTSSMN1; SMN2
SCHEMBL27647429 0.82 SMN1; SMN2 (0.66) MEN1KMT2ASTSSMN1; SMN2HTT
SCHEMBL27667920 0.82 SMN1; SMN2 (0.66) MEN1KMT2ASTSSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-19 US disclosed
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-19 US disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-9944625-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-17 US disclosed
US-20170073330-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-16 US disclosed
US-20170073330-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-16 US disclosed
US-20160318904-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-03 US disclosed
US-20160318904-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-11-03 US disclosed
US-9447110-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-20 US disclosed
US-9447110-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-20 US disclosed
US-20160075715-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-17 US disclosed
US-9192607-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-24 US disclosed
US-9192607-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-24 US disclosed
US-20150157624-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 US disclosed
US-20150157624-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 US disclosed
US-9000172-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 US disclosed
US-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 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 (7 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-20140296214-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-20160318904-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-20170073330-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-20160075715-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-20180201603-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885
US-20150157624-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4693/4885MEN1 367/4885KMT2A 562/4885

“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.