SCHEMBL2173840

SCHEMBL2173840

O=C1c2ccccc2C(=O)N1C1CC=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MC4R P32245 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9980527 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL2174046 0.89 DPP4 (0.39) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL34473049 0.87 ALDH1A1 (0.44) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL20103234 0.87 ALDH1A1 (0.44) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL1561517 0.79 L3MBTL1 (0.49) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL2176501 0.79 CYP1A2 (0.33) CYP1A2
SCHEMBL9625796 0.78 L3MBTL1 (0.54) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL2665681 0.78 L3MBTL1 (0.54) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL4708850 0.77 ALDH1A1 (0.45) ALDH1A1TSHRCHRM2OPRM1DDB1
SCHEMBL30212234 0.75 ALDH1A1 (0.57) ALDH1A1TSHRCHRM2OPRM1DDB1

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
JP-2007505922-A 2007-03-15 JP claimed
US-20060211728-A1 Thalidomide analogs P2D INC. 2006-09-21 US claimed
EP-1663223-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2006-06-07 EP claimed
WO-2005028436-A2 THALIDOMIDE ANALOGS AS TNF-ALPHA MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-03-31 WO claimed
US-20140309436-A1 THALIDOMIDE ANALOGS P2D, INC. 2014-10-16 US disclosed
US-8853253-B2 Thalidomide analogs P2D, INC. (US) 2014-10-07 US disclosed
US-8546430-B2 Thalidomide analogs P2D, INC. (US) 2013-10-01 US disclosed
US-20130035363-A1 Thalidomide Analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2013-02-07 US disclosed
US-20110245210-A1 THALIDOMIDE ANALOGS The Government of the United States of America, as represented by the Secretary of 2011-10-06 US disclosed
US-7973057-B2 Thalidomide analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-07-05 US disclosed
US-20060211728-A1 Thalidomide analogs P2D INC. 2006-09-21 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 (4 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-20130035363-A1 Thalidomide Analogs TNF, TNFRSF1A, TNFRSF9 ALDH1A1 279/4885TSHR 1619/4885CHRM2 4584/4885
US-20060211728-A1 Thalidomide analogs TNF, TNFRSF1A, PGF ALDH1A1 336/4885TSHR 1523/4885CHRM2 4372/4885
US-20140309436-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, TNFRSF9 ALDH1A1 279/4885TSHR 1619/4885CHRM2 4584/4885
US-20110245210-A1 THALIDOMIDE ANALOGS TNF, TNFRSF1A, PGF ALDH1A1 336/4885TSHR 1523/4885CHRM2 4372/4885

“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.