SCHEMBL2336439

SCHEMBL2336439

Nc1ccc(N2CCCC2)c(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
MAPT P10636 5/20 0.76
THRB P10828 4/20 0.76
HSD17B10 Q99714 3/20 0.76
ALOX15 P16050 2/20 0.76
GFER P55789 2/20 0.76
YWHAG P61981 1/20 0.76
HTT P42858 1/20 0.73
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 6/20 0.55
POLB P06746 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.54
NR4A1 P22736 1/20 0.53
PTK2B Q14289 1/20 0.53
IP6K1 Q92551 1/20 0.53

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
SCHEMBL6254176 0.98 HTT (0.77) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11610621 0.98 HTT (0.77) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL26607490 0.86 KDM4E (0.61) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL17774819 0.86 KDM4E (1.00) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL2855312 0.85 SMN1; SMN2 (0.60) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL9113476 0.85 KDM4E (0.58) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11100139 0.85 KDM4E (0.56) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL9112467 0.85 MEN1 (0.56) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL17774829 0.85 HTT (1.00) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL11101742 0.85 KDM4E (0.56) KDM4EMEN1KMT2AMAPTTHRB

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
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
CN-102753522-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2013-11-27 CN disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed
US-4066457-A P-PHENYLENEDIAMINE DERIVATIVES GAF CORPORATION (US) 1978-01-03 US disclosed
US-4066456-A COLOR PHOTOGRAPHIC FILMS GAF CORPORATION (US) 1978-01-03 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 KDM4E 272/4885MEN1 2579/4885KMT2A 703/4885

“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.