SCHEMBL2909384

SCHEMBL2909384

O=C1N[C@H](c2ccccc2)CO1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 2/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL4563 0.98 SMN1; SMN2 (0.42) ARSMN1; SMN2ALDH1A1CA2TSHR
SCHEMBL4562 0.98 SMN1; SMN2 (0.42) ARSMN1; SMN2ALDH1A1CA2TSHR
SCHEMBL445133 0.98 SMN1; SMN2 (0.42) ARSMN1; SMN2ALDH1A1CA2TSHR
SCHEMBL16106147 0.98 SMN1; SMN2 (0.42) ARSMN1; SMN2ALDH1A1CA2TSHR
SCHEMBL14831166 0.87 TAAR1 (0.41) ARALDH1A1MEN1KMT2ABRD4
SCHEMBL14831167 0.87 TAAR1 (0.41) ARALDH1A1MEN1KMT2ABRD4
SCHEMBL16363903 0.83 KDM4E (0.37) ARALDH1A1CYP19A1MEN1KMT2A
SCHEMBL4532571 0.81 AR (0.41) ARSMN1; SMN2TSHRCYP19A1BRD4
SCHEMBL28983075 0.81 DGAT1 (0.48) SMN1; SMN2ALDH1A1TSHRLMNAMEN1
SCHEMBL28983077 0.81 DGAT1 (0.48) SMN1; SMN2ALDH1A1TSHRLMNAMEN1

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-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
EP-1756106-A4 CYCLOHEXYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-17 EP disclosed
CN-100430386-C Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2008-11-05 CN 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
CN-1960990-A Cyclohexylalanine derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-05-09 CN disclosed
EP-1756106-A1 CYCLOHEXYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-02-28 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
CN-1735605-A Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors MERCK & CO INC (US) 2006-02-15 CN disclosed
WO-2005116029-A1 CYCLOHEXYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2005-12-08 WO 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 AR 4299/4885SMN1; SMN2 4083/4885ALDH1A1 1691/4885
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 AR 4163/4885SMN1; SMN2 3791/4885ALDH1A1 1003/4885
US-20060111336-A1 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 AR 4185/4885SMN1; SMN2 3767/4885ALDH1A1 984/4885

“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.