SCHEMBL600490

SCHEMBL600490

N=C(N)NCC1(C(=O)O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
MME P08473 3/20 0.36
P2RX7 Q99572 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TBXAS1 P24557 2/20 0.31
CPB2 Q96IY4 2/20 0.30

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 SCHEMBL10583212 0.98 CYP2C19 (0.46) CYP2C19MMEP2RX7USP2ALDH1A1
SCHEMBL5722357 0.98 CYP2C19 (0.44) CYP2C19MMEP2RX7
SCHEMBL17234220 0.94 CYP2C19 (0.39) CYP2C19MME
SCHEMBL17234215 0.90 CYP2C19 (0.33) CYP2C19ALDH1A1TSHR
SCHEMBL6847900 0.87 P2RX7 (0.42) CYP2C19MMEP2RX7ALDH1A1LMNA
SCHEMBL1127363 0.78 CYP2C19 (0.47) CYP2C19MMEP2RX7USP2ALDH1A1
SCHEMBL9543283 0.77 CYP2C19 (0.50) CYP2C19MMEALDH1A1LMNATSHR
SCHEMBL30879561 0.76 CYP2C19 (0.58) CYP2C19MMEUSP2ALDH1A1LMNA
SCHEMBL6307086 0.76 CYP2C19 (0.48) CYP2C19MMELMNATBXAS1
SCHEMBL6400273 0.75 FAAH (0.40) P2RX7ALDH1A1LMNASMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775692-B1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEM IND CO LTD (JP) 2000-12-06 EP claimed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 EP claimed
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 US disclosed
EP-1449828-B1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORP (JP) 2007-04-18 EP disclosed
US-6960681-B2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORPORATION (JP) 2005-11-01 US disclosed
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRIES CO., LTD. 2005-04-07 US disclosed
US-6831190-B1 Acts effectively in stomach, the antibacterial activity becomes weak as the compounds moves from duodenum to small intestines; do not have activity against esylhiacori, staphylococcus aureus, methacycline resistant bacterium TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2004-12-14 US disclosed
EP-1449828-A2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives Nagase ChemteX Corporation (JP) 2004-08-25 EP disclosed
EP-0989112-B1 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORP (JP) 2004-04-14 EP disclosed
JP-2002128670-A MEDICINAL COMPOSITION FOR TABLET NAGASE IYAKUHIN KK 2002-05-09 JP disclosed
US-6284791-B1 USEFUL AS AN ANTI-MICROBIAL AGAINST HELICOBACTER PYLORI TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2001-09-04 US disclosed
EP-0775692-B1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEM IND CO LTD (JP) 2000-12-06 EP disclosed
EP-0989112-A2 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-03-29 EP disclosed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 EP disclosed
EP-0193965-B1 NOVEL GUANIDINOMETHYLCYCLOHEXANCARBOXYLIC ACID COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KANEBO, LTD. (JP) 1988-11-30 EP disclosed
US-4681895-A Novel guanidinomethylcyclohexanecarboxylic acid compounds and anti-ulcer drug containing the same KANEBO, LTD. (JP) 1987-07-21 US disclosed
US-4681895-A Novel guanidinomethylcyclohexanecarboxylic acid compounds and anti-ulcer drug containing the same KANEBO, LTD. (JP) 1987-07-21 US disclosed
EP-0193965-A2 Novel guanidinomethylcyclohexancarboxylic acid compounds, processes for preparing them, and pharmaceutical compositions containing them KANEBO, LTD. (JP) 1986-09-10 EP disclosed
EP-0193965-A2 Novel guanidinomethylcyclohexancarboxylic acid compounds, processes for preparing them, and pharmaceutical compositions containing them KANEBO, LTD. (JP) 1986-09-10 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 (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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 CYP2C19 81/4885MME 4461/4885P2RX7 157/4885
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives GCK, ADCY9, ADCY7 CYP2C19 55/4885MME 3680/4885P2RX7 1614/4885

“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.