SCHEMBL5626293

SCHEMBL5626293

CC(=O)OCCc1cccc(CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.49
NOS1 P29475 4/20 0.46
NOS2 P35228 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NOS3 P29474 2/20 0.46
CYP3A4 P08684 2/20 0.46
NFKB1 P19838 1/20 0.46
ENPP2 Q13822 1/20 0.43
TYR P14679 1/20 0.42
ACHE P22303 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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 SCHEMBL27502508 0.98 NOS1 (0.47) LOXL2NOS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27521374 0.97 NOS1 (0.46) LOXL2NOS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27521088 0.89 ACHE (0.49) NOS1ALDH1A1TYRACHENPC1
SCHEMBL5691933 0.86 LOXL2 (0.47) LOXL2NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL6233836 0.85 SMN1; SMN2 (0.45) LOXL2ALDH1A1SMN1; SMN2CYP3A4CA12
SCHEMBL1992145 0.85 CYP4F2 (0.53) ALDH1A1TYRCA12CA1CA4
SCHEMBL27637243 0.85 ALDH1A1 (0.46) ALDH1A1TYRCA12CA1CA4
SCHEMBL1560391 0.85 CYP4F2 (0.53) ALDH1A1TYRCA12CA1CA4
SCHEMBL27551658 0.84 LOXL2 (0.44) LOXL2NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL5776297 0.84 CYP1A2 (0.41) LOXL2ALDH1A1SMN1; SMN2CYP3A4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101610764-B Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LTD 2012-11-21 CN disclosed
CN-102119141-A Novel polymorphic forms of (4-{[(5-{[(3-chlorophenyl)methyl]oxy}-2-methylphenyl)carbonyl]amino}-3-methylphenyl)acetic acid GLAXO GROUP LTD 2011-07-06 CN disclosed
CN-102119138-A Novel salts of (4-{[(5-{[(3-chlorophenyl)methyl]oxy}-2-methylphenyl)carbonyl]amino}-3-methylphenyl)acetic acid GLAXO GROUP LTD 2011-07-06 CN disclosed
CN-101610764-A As EP 4The heterocyclic carbamate derivatives of receptor stimulating agent GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 US disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 US disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 US disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN LOXL2 3974/4885NOS1 2642/4885NOS2 2333/4885
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 LOXL2 3183/4885NOS1 3596/4885NOS2 3730/4885

“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.