SCHEMBL500364

SCHEMBL500364

C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=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
SCHEMBL874162 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS CARDURION PHARMACEUTICALS, INC. 2023-06-15 US disclosed
US-11370795-B2 Process for the synthesis of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one Imara Inc. (US) 2022-06-28 US disclosed
US-20200157108-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS CARDURION PHARMACEUTICALS, INC. 2020-05-21 US disclosed
EP-2757103-B1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE EISAI R&D MAN CO LTD (JP) 2016-01-06 EP disclosed
EP-2757103-A1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-07-23 EP disclosed
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
EP-1486500-B1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIA KYORIN SEIYAKU KK (JP) 2009-09-16 EP disclosed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US 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
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 US disclosed
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field CLPP, PRSS1, FOSB S1PR5 4203/4885S1PR1 4135/4885FUCA1 3491/4885
US-20200157108-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS PDE9A, PDE2A, PDE3B S1PR5 450/4885S1PR1 713/4885FUCA1 1607/4885
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 S1PR5 2261/4885S1PR1 2998/4885FUCA1 2231/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA S1PR5 4197/4885S1PR1 4210/4885FUCA1 4277/4885
US-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS PDE9A, PDE4B, PDE12 S1PR5 1998/4885S1PR1 2543/4885FUCA1 1851/4885
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
US-11370795-B2 Process for the synthesis of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one TYMS, TKT, TPMT S1PR5 1833/4885S1PR1 2449/4885FUCA1 4195/4885

“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.