SCHEMBL4415420

SCHEMBL4415420

COc1ccc(C(=O)NC2CCNCC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMYD3 Q9H7B4 3/20 0.52
PTK2 Q05397 1/20 0.51
HTR4 Q13639 2/20 0.51
HPGDS O60760 1/20 0.50
KDM1A O60341 1/20 0.49
AKT1 P31749 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ACHE P22303 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
OPRK1 P41145 1/20 0.48
POLB P06746 1/20 0.48
KLKB1 P03952 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL3134481 0.87 KMT2A (0.60) MAPK1LMNAHTTRAB9A
SCHEMBL18271231 0.83 PTPN7 (0.56) MAPK1LMNAHTTRAB9ASMYD3
SCHEMBL10144490 0.83 HTR4 (0.61) MAPK1SMYD3PTK2HTR4HPGDS
SCHEMBL15761010 0.81 EZH2 (0.53) MAPK1RAB9ASMYD3HTR4HPGDS
SCHEMBL16442371 0.81 HTT (0.56) MAPK1LMNAHTTRAB9AAKT1
Hydrochloric Acid SCHEMBL15758268 0.81 EZH2 (0.52) MAPK1RAB9ASMYD3HTR4HPGDS
Hydrochloric Acid SCHEMBL16447312 0.80 MEN1 (0.56) MAPK1LMNAHTTRAB9AAKT1
SCHEMBL13575477 0.80 HDAC6 (0.55) RAB9ASMYD3HTR4TAS1R3TAS1R1
SCHEMBL13880649 0.80 MAPK1 (0.58) MAPK1SMYD3PTK2HTR4HPGDS
SCHEMBL15761009 0.79 EZH2 (0.50) MAPK1RAB9ASMYD3PTK2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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 (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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 MAPK1 3046/4885LMNA 3069/4885HTT 2727/4885

“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.