SCHEMBL2685244

SCHEMBL2685244

c1cc(-c2ccc3c(c2)NCC3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
QDPR P09417 1/20 0.41
LMNA P02545 1/20 0.41
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MAP4K4 O95819 1/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL4525557 0.85 PDE3B (0.56) PDE3BPDE3AMAPTKDM4EMEN1
SCHEMBL4718616 0.83 KDM4E (0.63) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL13229196 0.82 ASIC3 (0.40) PDE3BPDE3AMAPTKDM4EMEN1
SCHEMBL6188859 0.80 CYP11B1 (0.59) PDE3BPDE3AALDH1A1
SCHEMBL5449872 0.78 CHRNB2 (0.53) PDE3BPDE3AMAPTQDPRLMNA
SCHEMBL10923794 0.76 PARP10 (0.41) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL1010614 0.75 ASIC3 (0.61) PDE3BPDE3ADRD2ASIC3PKN2
SCHEMBL1009138 0.75 PKN2 (0.54) DRD2ASIC3PKN2
SCHEMBL30833275 0.75 PKN2 (0.54) DRD2ASIC3PKN2
SCHEMBL10924778 0.74 PARP10 (0.60) MAPTKDM4EMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN 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 (1 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A PDE3B 738/4885PDE3A 1056/4885MAPT 4112/4885

“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.