SCHEMBL3583374

SCHEMBL3583374

NCCC(N)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP8 P22894 2/20 0.51
EGFR P00533 2/20 0.50
SRC P12931 1/20 0.50
SLC1A1 P43005 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL30120748 1.00 MMP2 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL28736783 0.98 MMP2 (0.55) MMP2CYP1A2CYP2D6CYP2C9TSHR
Trifluoroacetic Acid SCHEMBL3587833 0.91 MMP2 (0.52) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL9275540 0.90 MMP2 (0.64) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8526418 0.90 MMP2 (0.64) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3907033 0.89 MMP2 (0.71) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8691002 0.89 MMP2 (0.71) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5555507 0.87 SLC1A1 (0.57) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL18952189 0.87 SPHK1 (0.62) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL29968173 0.87 TPSAB1 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO disclosed
US-6740657-B2 FOR EXAMPLE, N3-CYCLOPROPYL-7-((2,6-DICHLOROPHENYL)METHYL)-9-((DIMETHYLAMINO)METHYL)-7H -PYRROLO(3,2-F) QUINAZOLINE-1,3-DIAMI NE; TREATING CARDIOVASCULAR DISORDERS, RESTENOSIS, THROMBOSIS, AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-05-25 US disclosed
US-20020160963-A1 Aminomethyl-pyrroloquinazoline compounds as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-31 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-20020160963-A1 Aminomethyl-pyrroloquinazoline compounds as thrombin receptor antagonists F2R, F2RL1, F2RL3 MMP2 962/4885CYP1A2 2290/4885CYP2D6 3522/4885
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 MMP2 3375/4885CYP1A2 3738/4885CYP2D6 1653/4885

“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.