SCHEMBL401131

SCHEMBL401131

CC(C)Oc1ccc(C(=O)O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 6/20 0.50
XDH P47989 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 2/20 0.47
CYP2D6 P10635 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL977072 0.86 KMT2A (0.53) KMT2AALDH1A1XDHCA12CA1
SCHEMBL4281000 0.85 ALDH1A1 (0.49) KMT2AALDH1A1XDHCYP1A2CYP2C19
SCHEMBL3545163 0.84 KMT2A (0.58) KMT2AALDH1A1XDHCA12CA1
SCHEMBL1980076 0.83 NOTUM (0.56) KMT2AALDH1A1XDHCA12CA1
SCHEMBL403444 0.83 CA12 (0.54) KMT2AALDH1A1XDHCA12CA1
SCHEMBL12619015 0.83 RORC (0.45) KMT2AALDH1A1CA12CA1CA2
SCHEMBL28031421 0.83 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL16956910 0.82 ALDH1A1 (0.44) KMT2AALDH1A1XDHCYP1A2CYP2C19
SCHEMBL9005609 0.81 TTR (0.56) KMT2AALDH1A1XDHCA12CA1
SCHEMBL2543398 0.81 KMT2A (0.55) KMT2AALDH1A1XDHCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 EP disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
CN-104011021-B heterocyclic derivatives and their use as prostaglandin D2 receptor modulators 埃科特莱茵药品有限公司 2016-08-24 CN disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
CN-1311789-A Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM PLC (GB) 2001-09-05 CN disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 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 (5 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 KMT2A 2431/4885ALDH1A1 2827/4885XDH 1833/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 KMT2A 919/4885ALDH1A1 284/4885XDH 303/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KMT2A 445/4885ALDH1A1 494/4885XDH 566/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 KMT2A 919/4885ALDH1A1 284/4885XDH 303/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 KMT2A 1389/4885ALDH1A1 464/4885XDH 1303/4885

“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.