SCHEMBL949832

SCHEMBL949832

CCC(=O)CCc1cccc(CO)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.46
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 2/20 0.42
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CCR1 P32246 1/20 0.34
ADORA2A P29274 2/20 0.33
DHFR P00374 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
Acetic Acid SCHEMBL6984469 0.79 NPSR1 (0.53) NPSR1KCNH2PGK1PGK2CCR1
SCHEMBL946387 0.79 CYP4F2 (0.56) NPSR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL415443 0.78 KDM4E (0.47) NPSR1ALDH1A1SMN1; SMN2ADORA2ACYP1A2
SCHEMBL4043797 0.77 KCNH2 (0.55) NPSR1KCNH2ALDH1A1PGK1PGK2
SCHEMBL946003 0.74 NPSR1 (0.42) NPSR1KCNH2ALDH1A1ADORA2A
SCHEMBL486201 0.74 CCR1 (0.55) NPSR1KCNH2PGK1PGK2CCR1
SCHEMBL10967853 0.74 CYP1A2 (0.53) IAPPALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5104176 0.73 CCR1 (0.44) NPSR1KCNH2PGK1PGK2CCR1
SCHEMBL27965286 0.73 P2RX7 (0.44) IAPPNPSR1KCNH2ALDH1A1RAB9A
SCHEMBL12530365 0.72 CTDSP1 (0.49) IAPPKCNH2NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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 (2 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 IAPP 3720/4885NPSR1 527/4885KCNH2 787/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 IAPP 3720/4885NPSR1 527/4885KCNH2 787/4885

“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.