SCHEMBL69294

SCHEMBL69294

CC(C)c1cccc2c1NCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
ADRA2A P08913 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
ADRA2B P18089 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL20661712 0.84 TSHR (0.39) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL71434 0.82 GABRA1 (0.38) TAAR1LMNAGABRA1GABRG2GABRB3
SCHEMBL12533361 0.78 ADRA2A (0.49) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16746080 0.78 ALDH1A1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12533362 0.77 ALDH1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL13035771 0.77 ALDH1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3115776 0.77 ALDH1A1 (0.44) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL15479687 0.75 ADRA2A (0.34) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8306404 0.73 NR3C2 (0.47) ALDH1A1MAPTLMNAGABRA1GABRG2
SCHEMBL20756201 0.73 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
EP-3279187-B1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO (JP) 2021-06-02 EP disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogo & Co., Ltd (JP) 2017-10-19 US disclosed
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogo & Co., Ltd (JP) 2017-10-19 US disclosed
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2017-06-08 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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 (10 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 TAAR1 2644/4885ADRA2A 900/4885ADRA2C 677/4885
US-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET TAAR1 4599/4885ADRA2A 3155/4885ADRA2C 2654/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET TAAR1 4599/4885ADRA2A 3155/4885ADRA2C 2654/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 TAAR1 263/4885ADRA2A 709/4885ADRA2C 794/4885
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 TAAR1 1844/4885ADRA2A 401/4885ADRA2C 269/4885
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY ENPP2, ITPA, IMPA1 TAAR1 2103/4885ADRA2A 2082/4885ADRA2C 2525/4885
US-20170297999-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE TERB1, TERT, PAH TAAR1 695/4885ADRA2A 3730/4885ADRA2C 3599/4885
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP TAAR1 4427/4885ADRA2A 2126/4885ADRA2C 2866/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 TAAR1 445/4885ADRA2A 311/4885ADRA2C 214/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET TAAR1 4599/4885ADRA2A 3155/4885ADRA2C 2654/4885

“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.