SCHEMBL10051736

SCHEMBL10051736

CC(C)C(=O)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
PHGDH O43175 1/20 0.49
MGLL Q99685 1/20 0.49
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13417642 1.00 POLB (0.53) POLBHSD17B10SIGMAR1HRH3PHGDH
SCHEMBL13137477 1.00 POLB (0.53) POLBHSD17B10SIGMAR1HRH3PHGDH
SCHEMBL13417645 0.98 POLB (0.50) POLBHSD17B10SIGMAR1HRH3PHGDH
SCHEMBL4546623 0.94 POLB (0.46) POLBHSD17B10SIGMAR1HRH3PHGDH
SCHEMBL15504825 0.90 MTNR1A (0.43) POLBHSD17B10SIGMAR1HRH3KCNH2
SCHEMBL25107536 0.86 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL3
SCHEMBL12396446 0.85 CYP3A4 (0.55) ALDH1A1KDM4EMEN1KMT2AL3MBTL3
SCHEMBL4546639 0.84 TSHR (0.39) POLBHSD17B10SIGMAR1HRH3GAA
SCHEMBL12308328 0.84 CHRM1 (0.53) POLBSIGMAR1HRH3L3MBTL3L3MBTL1
SCHEMBL18251701 0.83 CYP3A4 (0.52) L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156788-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 OXFORD BIOTHERAPEUTICS LTD (GB) 2013-06-20 US disclosed
US-8420084-B2 Fully human antibodies specific to CADM1 MEDAREX, INC. (US) 2013-04-16 US disclosed
US-20120093826-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 OXFORD BIOTHERAPEUTICS LTD (GB) 2012-04-19 US disclosed
US-20120027782-A1 MONOCLONAL ANTIBODY PARTNER MOLECULE CONJUGATES DIRECTED TO PROTEIN TYROSINE KINASE 7 (PTK7) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 US disclosed
US-20110085970-A1 ANTI-B7H4 MONOCLONAL ANTIBODY-DRUG CONJUGATE AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2011-04-14 US disclosed
US-20110020329-A1 CONJUGATES OF ANTI-RG-1 ANTIBODIES BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20090162372-A1 FIBRONECTIN ED-B ANTIBODIES, CONJUGATES THEREOF, AND METHODS OF USE MEDAREX, INC. (US) 2009-06-25 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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 (7 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-20090162372-A1 FIBRONECTIN ED-B ANTIBODIES, CONJUGATES THEREOF, AND METHODS OF USE FN1, EDNRB, EDF1 POLB 3600/4885HSD17B10 4045/4885SIGMAR1 4257/4885
US-20110085970-A1 ANTI-B7H4 MONOCLONAL ANTIBODY-DRUG CONJUGATE AND METHODS OF USE CD2BP2, CD274, CD22 POLB 2133/4885HSD17B10 3632/4885SIGMAR1 2555/4885
US-20120093826-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 FCGR1A, FCGR2A, FCGR3B POLB 1443/4885HSD17B10 4531/4885SIGMAR1 4180/4885
US-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 POLB 4479/4885HSD17B10 3413/4885SIGMAR1 2998/4885
US-20130156788-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 FCGR1A, FCGR2A, FCGR3B POLB 1443/4885HSD17B10 4531/4885SIGMAR1 4180/4885
US-20110020329-A1 CONJUGATES OF ANTI-RG-1 ANTIBODIES GDI1, ARFGAP1, GLG1 POLB 3724/4885HSD17B10 4456/4885SIGMAR1 2986/4885
US-20120027782-A1 MONOCLONAL ANTIBODY PARTNER MOLECULE CONJUGATES DIRECTED TO PROTEIN TYROSINE KINASE 7 (PTK7) PTK2, PTK2B, LTK POLB 3824/4885HSD17B10 3401/4885SIGMAR1 4567/4885

“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.