SCHEMBL2900848

SCHEMBL2900848

C[C@H](O)C=Cc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
CYP2C19 P33261 4/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
MEN1 O00255 1/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL26343972 1.00 MAPT (0.61) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL2900846 1.00 MAPT (0.61) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL9967764 0.82 MAPT (0.55) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL28847935 0.80 CYP3A4 (0.60) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL12241652 0.80 CYP3A4 (0.60) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL8783725 0.78 MAPT (0.52) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL8783722 0.78 MAPT (0.52) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL13476336 0.78 KDM4E (0.41) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL9411971 0.78 CYP2C19 (0.56) MAPTCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL26343771 0.78 CYP2C19 (0.56) MAPTCYP2C19CYP3A4CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671073-B2 Cyclohexylalanine derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-02 US disclosed
US-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-31 US disclosed
US-7309714-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-18 US disclosed
EP-1578414-A4 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-10-24 EP disclosed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP disclosed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-20060111336-A1 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-05-25 US disclosed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US disclosed
EP-1578414-A2 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-09-28 EP disclosed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 EP disclosed
WO-2004050022-A2 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-06-17 WO disclosed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 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 (3 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-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 MAPT 3094/4885CYP2C19 1642/4885CYP3A4 406/4885
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MAPT 2573/4885CYP2C19 1082/4885CYP3A4 312/4885
US-20060111336-A1 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MAPT 2701/4885CYP2C19 1008/4885CYP3A4 279/4885

“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.