SCHEMBL7871371

SCHEMBL7871371

Nc1ccc2c(c1)C(N)CC2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.45
DRD1 P21728 1/20 0.40
HTR6 P50406 3/20 0.39
GRIN2B Q13224 1/20 0.38

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
SCHEMBL30918006 1.00 ACHE (0.45) ACHEDRD1HTR6GRIN2B
SCHEMBL2038159 1.00 ACHE (0.45) ACHEDRD1HTR6GRIN2B
Hydrochloric Acid SCHEMBL8191914 0.98 ACHE (0.48) ACHEDRD1HTR6GRIN2B
SCHEMBL30400877 0.88 ACHE (0.49) ACHEDRD1HTR6
SCHEMBL3533926 0.88 ACHE (0.49) ACHEDRD1HTR6
SCHEMBL396737 0.88 ACHE (0.49) ACHEDRD1HTR6
Hydrochloric Acid SCHEMBL11744676 0.86 ACHE (0.48) ACHEDRD1HTR6
SCHEMBL3439729 0.83 DRD2 (0.39) ACHEDRD1HTR6GRIN2B
SCHEMBL12548647 0.83 DRD2 (0.39) ACHEDRD1HTR6GRIN2B
SCHEMBL8223471 0.83 DRD2 (0.39) ACHEDRD1HTR6GRIN2B

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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1997006158-A1 BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-02-20 WO disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 ACHE 488/4885DRD1 1862/4885HTR6 133/4885

“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.