SCHEMBL1974828

SCHEMBL1974828

O=C(O)C1=C(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 2/20 0.43
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR2 P41597 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PPP1CA P62136 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL1989593 0.89 HRH3 (0.42) S1PR1S1PR5SIGMAR1HTTCHRM2
Hydrochloric Acid SCHEMBL4092844 0.88 SIGMAR1 (0.47) S1PR1S1PR5SIGMAR1SLC6A3SLC6A2
SCHEMBL1974749 0.85 SIGMAR1 (0.49) SIGMAR1FAAHMEN1KMT2ASMN1; SMN2
SCHEMBL1751581 0.84 HDAC4 (0.44) S1PR1S1PR5SIGMAR1CHRM2CHRM3
Water SCHEMBL2512481 0.84 SIGMAR1 (0.47) SIGMAR1FAAHMEN1KMT2ASMN1; SMN2
SCHEMBL1989472 0.83 POLB (0.47) SIGMAR1HTTCHRM2SMN1; SMN2LMNA
SCHEMBL5777725 0.78 SIGMAR1 (0.54) S1PR1S1PR5SIGMAR1FAAHMEN1
SCHEMBL3982599 0.77 SLC6A3 (0.53) SLC6A3SLC6A2CHRM2CHRM3MEN1
SCHEMBL10369760 0.75 CHRM5 (0.52) SLC6A3SLC6A2CHRM2CHRM3
SCHEMBL17474538 0.75 CHRM5 (0.60) SLC6A3SLC6A2CHRM2CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US claimed
EP-2379500-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO claimed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
EP-2379500-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 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 (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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 S1PR1 530/4885S1PR5 506/4885SIGMAR1 158/4885
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS PYCR1, PYGB, PCCA S1PR1 2110/4885S1PR5 1881/4885SIGMAR1 817/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 S1PR1 530/4885S1PR5 506/4885SIGMAR1 158/4885

“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.