SCHEMBL69284

SCHEMBL69284

CC(C)c1cccc2c1OCCN2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
MAP3K5 Q99683 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
FAAH O00519 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL17707875 0.90 HTR1A (0.34) NOTUMGABRA1GABRG2GABRB3FAAH
SCHEMBL8593458 0.77 L3MBTL1 (0.46) NOTUMCYP1A2FGBL3MBTL1
SCHEMBL26141113 0.77 NOTUM (0.66) NOTUMLMNAGRM5TDP1
SCHEMBL19035394 0.76 GABRA1 (0.35) NOTUMGABRA1GABRG2GABRB3FAAH
SCHEMBL23384700 0.76 NOTUM (0.39) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL22717412 0.76 NOTUM (0.39) NOTUMHTR2BGRM5CYP11B1CYP11B2
SCHEMBL27358451 0.76 NPC1 (0.45) NOTUMHPGDGRM5CYP11B1CYP11B2
SCHEMBL3595427 0.76 HTR6 (0.51) NOTUMCYP1A2GRM5CYP11B1CYP11B2
SCHEMBL27259961 0.76 NOTUM (0.60) NOTUMFGBL3MBTL1
SCHEMBL26700015 0.75 TDP1 (0.41) GABRA1GABRB2CYP11B1CYP11B2TDP1

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-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-06-22 US disclosed
WO-2021026098-A1 KIF18A INHIBITORS AMGEN INC. (US) 2021-02-11 WO disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-9920031-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9802915-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170260160-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-9688629-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-03-09 US disclosed
US-20160115126-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2016-04-28 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (9 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-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 NOTUM 3479/4885MAP3K5 292/4885GABRA1 1598/4885
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 NOTUM 3479/4885MAP3K5 292/4885GABRA1 1598/4885
US-20170260160-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 NOTUM 3479/4885MAP3K5 292/4885GABRA1 1598/4885
US-20160115126-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 NOTUM 3479/4885MAP3K5 292/4885GABRA1 1598/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NOTUM 787/4885MAP3K5 1608/4885GABRA1 180/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 NOTUM 4166/4885MAP3K5 2412/4885GABRA1 1991/4885
US-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV NOTUM 3840/4885MAP3K5 2358/4885GABRA1 1012/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 NOTUM 4166/4885MAP3K5 2412/4885GABRA1 1991/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NOTUM 787/4885MAP3K5 1608/4885GABRA1 180/4885

“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.