SCHEMBL1693008

SCHEMBL1693008

OCC(O)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TP53 P04637 1/20 0.34
AGL P35573 1/20 0.34
PMP22 Q01453 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 2/20 0.32
TSHR P16473 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL6370619 1.00 CPN1 (0.41) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL22066364 1.00 CPN1 (0.41) CPN1CPB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20568930 0.98 SLC6A2 (0.41) CPN1CPB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20568674 0.98 SLC6A2 (0.41) CPN1CPB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5729497 0.98 SLC6A2 (0.41) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL6488556 0.86
SCHEMBL6488553 0.86
Hydrochloric Acid SCHEMBL28345867 0.84 SLC6A2 (0.36) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL6371560 0.81 CPN1 (0.38) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL2246490 0.81

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
CN-118063458-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-05-24 CN disclosed
CN-110621676-B Dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-02-09 CN disclosed
US-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-02-03 US disclosed
CN-110621676-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2019-12-27 CN disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
CN-102952760-B Rhodococcus erythropolis capable of converting quininone into (S)-3-quinuclidinol and conversion method TIANJIN INST IND BIOTECHNOLOGY 2014-04-02 CN disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
CN-102952760-A Rhodococcus erythropolis capable of converting quininone into (S)-3-quinuclidinol and conversion method TIANJIN INST IND BIOTECHNOLOGY 2013-03-06 CN disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO disclosed
EP-1264827-A1 Process for the preparation of Tosylbenzylformamides SMITHKLINE BEECHAM CORPORATION (US) 2002-12-11 EP disclosed
US-4188485-A NEUROLEPTIC, CORRESPONDING XANTHENES AND THIOANTHENES G. D. SEARLE & CO. (US) 1980-02-12 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 (3 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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CPN1 2798/4885CPB2 2841/4885SLC6A2 3564/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA CPN1 3795/4885CPB2 3671/4885SLC6A2 3374/4885
US-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE9A, PDE5A, PDE2A CPN1 1312/4885CPB2 1273/4885SLC6A2 1659/4885

“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.