SCHEMBL4080259

SCHEMBL4080259

C=CCN1CCC(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
SLC6A11 P48066 1/20 0.42
S1PR5 Q9H228 3/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL19289676 1.00 NOTUM (0.42) NOTUMSLC6A11S1PR5S1PR4S1PR1
SCHEMBL28613250 0.89 SLC6A11 (0.52) SLC6A11CYP1A2
SCHEMBL3839597 0.89 SLC6A11 (0.52) SLC6A11CYP1A2
SCHEMBL1519312 0.89 L3MBTL1 (0.40) NOTUMS1PR1SMN1; SMN2
SCHEMBL7406444 0.83 S1PR5 (0.41) NOTUMSLC6A11S1PR5S1PR4S1PR1
SCHEMBL19897466 0.83 S1PR5 (0.41) NOTUMSLC6A11S1PR5S1PR4S1PR1
SCHEMBL19897449 0.83 S1PR5 (0.41) NOTUMSLC6A11S1PR5S1PR4S1PR1
SCHEMBL1361559 0.79 S1PR5 (0.43) NOTUMS1PR5S1PR4S1PR1S1PR3
SCHEMBL28208619 0.79 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL3264345 0.76 CYP1A2 (0.46) NOTUMS1PR5S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES Dr Reddys Laboratories Ltd (IN) 2021-06-03 US disclosed
WO-2019016745-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-24 WO disclosed
US-7601708-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2009-10-13 US disclosed
US-6992076-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2006-01-31 US disclosed
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2005-12-08 US disclosed
EP-1343805-A4 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT INC (US) 2005-07-20 EP disclosed
EP-1112253-B1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
EP-1343805-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION Xenoport, Inc. (US) 2003-09-17 EP disclosed
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. 2002-10-17 US disclosed
WO-2002028881-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT, INC. (US) 2002-04-11 WO disclosed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO 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-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES PRKD1, JAK1, JAK3 NOTUM 1228/4885SLC6A11 3989/4885S1PR5 841/4885
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 NOTUM 1246/4885SLC6A11 7/4885S1PR5 667/4885
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 NOTUM 1246/4885SLC6A11 7/4885S1PR5 667/4885

“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.