SCHEMBL5454035

SCHEMBL5454035

CC1CCN(C(=O)N(N)Cc2cccc(C#N)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
MGLL Q99685 1/20 0.43
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CCR5 P51681 1/20 0.43
GRM5 P41594 1/20 0.42
F2 P00734 2/20 0.41
EPHX1 P07099 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
FAAH O00519 1/20 0.40
MLNR O43193 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
Hydrochloric Acid SCHEMBL5105276 0.99 KDM1A (0.45) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
Hydrochloric Acid SCHEMBL5105273 0.99 KDM1A (0.45) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
SCHEMBL14289388 0.86 DPP7 (0.53) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
Hydrochloric Acid SCHEMBL5107311 0.85 DPP7 (0.52) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
Hydrochloric Acid SCHEMBL5107306 0.85 DPP7 (0.52) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
SCHEMBL5139527 0.83 DPP7 (0.41) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
SCHEMBL5103191 0.83 F2 (0.45) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
SCHEMBL14289411 0.82 GRM5 (0.52) MEP1AMEP1BMGLLGRM5
SCHEMBL14289387 0.81 DPP7 (0.48) KDM1ASLC6A2SLC6A4SLC6A3MEP1A
Hydrochloric Acid SCHEMBL5106295 0.81 DPP7 (0.47) KDM1ASLC6A2SLC6A4SLC6A3MEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 EP disclosed
US-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors UNIVERZA V LJUBLJANA (SI) 2004-03-11 US 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-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors TFPI, SERPINC1, F2 KDM1A 2349/4885SLC6A2 2354/4885SLC6A4 2066/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 KDM1A 2886/4885SLC6A2 2493/4885SLC6A4 2208/4885

“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.