SCHEMBL3511543

SCHEMBL3511543

ON[C@H](Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
NCOA1 Q15788 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR3 P51677 1/20 0.49
MAPT P10636 1/20 0.49
SOAT1 P35610 1/20 0.46
EPHX1 P07099 1/20 0.46
ACP3 P15309 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL10936752 0.80 HTT (0.58) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL1541692 0.78 TAAR1 (0.57) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL7039441 0.78 HTT (0.51) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL13621464 0.78 TAAR1 (0.57) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL13621571 0.78 TAAR1 (0.57) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL18065741 0.78 HTT (0.51) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL2096552 0.78 HTT (0.51) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL6932504 0.78 L3MBTL1 (0.57) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL6520812 0.78 HTT (0.60) HTTALDH1A1NCOA1SMN1; SMN2NCOA3
SCHEMBL28745498 0.77 CCR3 (0.64) HTTALDH1A1NCOA1SMN1; SMN2NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 US claimed
US-20100274025-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-28 US claimed
US-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 US claimed
EP-2505579-B1 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof ASTRAZENECA AB (SE) 2014-11-05 EP disclosed
EP-2792672-A2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof AstraZeneca AB (SE) 2014-10-22 EP disclosed
EP-2505578-B1 Methods and Compounds for Producing Dipeptidyl Peptidase IV Inhibitors and Intermediates thereof ASTRAZENECA AB (SE) 2014-09-24 EP disclosed
EP-2517706-B1 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof ASTRAZENECA AB (SE) 2014-06-25 EP disclosed
EP-1581487-B1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2014-06-04 EP disclosed
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-10 US disclosed
EP-2517706-A2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
EP-2505578-A2 Methods and Compounds for Producing Dipeptidyl Peptidase IV Inhibitors and Intermediates thereof Bristol-Myers Squibb Company (US) 2012-10-03 EP disclosed
EP-2505579-A2 Methods and compounds for producing dipeptidyl peptidase iv inhibitors and intermediates thereof Bristol-Myers Squibb Company (US) 2012-10-03 EP disclosed
US-8278462-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-20100274025-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-28 US disclosed
US-7705033-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-27 US disclosed
US-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 US disclosed
US-7420079-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20050090539-A1 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof ASTRAZENECA AB (SE) 2005-04-28 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-20100274025-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 HTT 2391/4885ALDH1A1 1007/4885NCOA1 4537/4885
US-20050090539-A1 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof DPP4, DPP3, DPP8 HTT 2391/4885ALDH1A1 1007/4885NCOA1 4537/4885
US-20090018311-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 HTT 2391/4885ALDH1A1 1007/4885NCOA1 4537/4885
US-20130012723-A1 METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF DPP4, DPP3, DPP8 HTT 2391/4885ALDH1A1 1007/4885NCOA1 4537/4885

“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.