SCHEMBL874162

SCHEMBL874162

CC1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.56
S1PR1 P21453 5/20 0.56
FUCA1 P04066 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LTA4H P09960 1/20 0.50
RORC P51449 1/20 0.48
ACHE P22303 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
GRIN2B Q13224 1/20 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
SCHEMBL23297889 1.00 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL22435919 1.00 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL25896427 1.00 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL500367 1.00 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL500364 1.00 S1PR5 (0.56) S1PR5S1PR1FUCA1ALDH1A1LTA4H
Hydrochloric Acid SCHEMBL15567085 0.98 S1PR5 (0.55) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL15151079 0.89 S1PR5 (0.51) S1PR5S1PR1FUCA1LTA4HRORC
SCHEMBL15567084 0.89 S1PR5 (0.51) S1PR5S1PR1FUCA1LTA4HRORC
SCHEMBL4513757 0.89 S1PR5 (0.51) S1PR5S1PR1FUCA1RORCACHE
SCHEMBL6231248 0.88 S1PR5 (0.65) S1PR5S1PR1FUCA1ALDH1A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
EP-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed
CN-108884068-B 1-cyano-pyrrolidine derivatives as DUB inhibitors 特殊治疗有限公司 2021-02-26 CN disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
EP-3277677-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2018-02-07 EP disclosed
US-9850249-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-12-26 US disclosed
US-9850249-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-12-26 US disclosed
EP-3178820-B1 PDE9- INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H LUNDBECK AS (DK) 2017-12-20 EP disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed
CN-101175724-A Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-05-07 CN disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP disclosed
US-7153851-B2 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
US-20060173225-A1 Process for the production of para-diethylbenzene INDIAN PETROCHEMICALS CORPORATION LIMITED 2006-08-03 US disclosed
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1486500-A1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIUM Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-15 EP disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN 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 (2 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-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A S1PR5 1335/4885S1PR1 1663/4885FUCA1 3870/4885
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium RRP15, RRP12, RRS1 S1PR5 2180/4885S1PR1 2298/4885FUCA1 3526/4885

“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.