SCHEMBL3841650

SCHEMBL3841650

CN1CC=C(C(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.43
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
LMNA P02545 1/20 0.38

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
Hydrochloric Acid SCHEMBL9704069 0.98 QDPR (0.42) QDPRGABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL11074886 0.98 QDPR (0.42) QDPRGABRPGABRDGABRA1TSHR
SCHEMBL25335980 0.88 TSHR (0.37) QDPRGABRPGABRDGABRA1TSHR
Formaldehyde SCHEMBL25335355 0.85 TSHR (0.37) QDPRGABRPGABRDGABRA1TSHR
SCHEMBL1538433 0.83 QDPR (0.43) QDPR
SCHEMBL9203433 0.82 QDPR (0.42) QDPR
SCHEMBL11887371 0.82 QDPR (0.42) QDPR
Hydrochloric Acid SCHEMBL9569043 0.82 QDPR (0.42) QDPR
Hydrochloric Acid SCHEMBL10875573 0.80 QDPR (0.41) QDPR
Hydrochloric Acid SCHEMBL14311881 0.80 QDPR (0.41) QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201631-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-01-21 US claimed
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 US claimed
US-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
US-20250186429-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-06-12 US disclosed
US-12201631-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2025-01-21 US disclosed
CN-117777099-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-03-29 CN disclosed
WO-2023205653-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 US disclosed
US-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US disclosed
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 EP disclosed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US disclosed
US-4424226-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
US-4424225-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
EP-0086982-A1 Substituted thienobenzodiazepinones, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-31 EP disclosed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0085899-A2 Pyridobenzodiazepinones, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0035924-B1 BENZOTHIOPYRANO(2,3-C) PYRIDINES AND THEIR ACID ADDITION SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-08-03 EP disclosed
EP-0035924-A1 Benzothiopyrano(2,3-c) pyridines and their acid addition salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1981-09-16 EP 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 (4 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-20250186429-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME MECP2, GABBR1, GABBR2 QDPR 3231/4885GABRP 25/4885GABRD 23/4885
US-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome MECP2, GABBR1, GABBR2 QDPR 3231/4885GABRP 25/4885GABRD 23/4885
US-12201631-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and fragile X syndrome MECP2, GABBR1, GABBR2 QDPR 3231/4885GABRP 25/4885GABRD 23/4885
US-20230031479-A1 METHODS AND COMPOSITIONS FOR REDUCING TACTILE DYSFUNCTION AND ANXIETY ASSOCIATED WITH AUTISM SPECTRUM DISORDER, RETT SYNDROME, AND FRAGILE X SYNDROME MECP2, GABBR1, GABBR2 QDPR 3231/4885GABRP 25/4885GABRD 23/4885

“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.