SCHEMBL2817625

SCHEMBL2817625

N[C@@H]1CCc2cccc(C(=O)O)c21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
ANPEP P15144 5/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 3/20 0.39

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
SCHEMBL2816001 1.00 ACHE (0.50) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL6095257 1.00 ACHE (0.50) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL12048442 0.75 KDM4E (0.40) ALDH1A1ALOX15
SCHEMBL2463409 0.74 DRD2 (0.49) ACHEANPEPHTR1A
SCHEMBL7537910 0.73 KDM4E (0.39) ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL5969871 0.73 ACHE (0.50) ACHEANPEPHTR1A
SCHEMBL18540921 0.72 ACHE (0.45) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL21650388 0.72 ACHE (0.45) ACHEANPEPIL1RNERAP2ERAP1
SCHEMBL1500383 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL27340278 0.71 ACHE (0.45) ACHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ACHE 3999/4885ANPEP 2429/4885IL1RN 178/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ACHE 3999/4885ANPEP 2429/4885IL1RN 178/4885

“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.