Pyrrolidine

Pyrrolidine

SCHEMBL2830893

C1CCNC1.NC(=O)ON1CCCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CHKA P35790 1/20 0.38
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1764108 0.90 CA2 (0.36) CA2CHKAKDM4EMAPTKMT2A
SCHEMBL1794347 0.87
SCHEMBL28062708 0.85 CA2 (0.41) CA2CHKAKDM4ECA12CA1
SCHEMBL250579 0.85 CA2 (0.38) CA2CHKACHRNB2CHRNA4CA12
SCHEMBL1242860 0.84 L3MBTL1 (0.38) CA2CHKAALDH1A1MAPTCA1
SCHEMBL16616375 0.83 CA2 (0.37) CA2CHKACHRNB2CHRNA4CA12
Hydrochloric Acid SCHEMBL3873748 0.82 L3MBTL1 (0.37) ALDH1A1
SCHEMBL790285 0.82
Azepane SCHEMBL15135390 0.78 CA2 (0.41) CA2CHKAALDH1A1KDM4E
SCHEMBL5149419 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655640-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-02 US disclosed
US-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
EP-1017399-B1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-12-24 EP disclosed
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-30 US disclosed
EP-1140948-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-01-02 EP disclosed
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-08 US disclosed
US-7271159-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH (US) 2007-09-18 US disclosed
US-6743917-B2 7-(TRIALKYLSILYLALKYL)-CAMPTOTHECIN OF GIVEN FORMULA BY CYCLIZING A 4-HYDROXY-6-HALO,7-(TRIALKYLSILYLALKYL)-3,4,7,8-TETRAHYDRO-1H-PYRANO(3,4 -C)PYRIDIN-3,8-DIONE WITH AN ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2004-06-01 US disclosed
US-6455699-B1 SUCH AS (20S)10-HYDROXY-7-TERT-BUTYLDIMETHYLSILYL-CAMPHTOTHECIN; ANTITUMOR AGENTS; SOLUBILITY; BIOAVAILABILITY/ BIODISTRIBUTION UNIVERSITY OF PITTSBURGH 2002-09-24 US disclosed
EP-1140948-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2001-10-10 EP disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 US disclosed
US-6136978-A CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE UNIVERSITY OF PITTSBURGH (US) 2000-10-24 US disclosed
WO-2000035924-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-06-22 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 (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-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 CA2 2154/4885CHKA 460/4885ALDH1A1 1767/4885
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof TOP2A, TOP1, TOP2B CA2 2348/4885CHKA 1010/4885ALDH1A1 2593/4885

“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.