SCHEMBL16236109

SCHEMBL16236109

CCOC(=O)[C@H](C)c1ccc(OC2CCNC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.56
▸ F2 P00734 5/20 0.56
▸ PLG P00747 3/20 0.52
▸ PRSS1 P07477 3/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ACACB O00763 2/20 0.41

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
SCHEMBL16253306 1.00 F10 (0.56) F10F2PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL16236107 0.99 F10 (0.56) F10F2PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL16236104 0.99 F10 (0.56) F10F2PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL16236110 0.99 F10 (0.56) F10F2PLGPRSS1PRSS2
SCHEMBL16240173 0.83 ACACB (0.57) ACACB
SCHEMBL16240171 0.83 ACACB (0.57) ACACB
SCHEMBL16240170 0.83 ACACB (0.57) ACACB
SCHEMBL8893118 0.79 F10 (0.52) F10F2PLGPRSS1PRSS2
SCHEMBL15634929 0.79 ACACB (0.51) F10F2ACACB
SCHEMBL15634930 0.79 ACACB (0.51) F10F2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 — — EP disclosed
EP-2997024-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2016-03-23 — — EP disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 — — US disclosed
WO-2014184104-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — WO disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — 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 (1 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-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof ACACB, PC, ACACA F10 4379/4885F2 2033/4885PLG 556/4885

“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.

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