SCHEMBL4640893

SCHEMBL4640893

NCCCCNc1nc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.70
TRPC3 Q13507 1/20 0.70
TRPC4 Q9UBN4 1/20 0.70
TRPC5 Q9UL62 1/20 0.70
TSHR P16473 2/20 0.62
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.49
BACE1 P56817 1/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.48
ALPL P05186 2/20 0.47
ALPG P10696 2/20 0.47
PLAA Q9Y263 1/20 0.47
SLC2A1 P11166 1/20 0.46

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
SCHEMBL6439777 0.98 BCHE (0.68) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL6034415 0.95 BCHE (0.72) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL4422048 0.89 BCHE (0.67) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL673939 0.84 BCHE (0.91) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL2448672 0.84 BACE1 (0.66) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL27915816 0.83 BCHE (0.88) BCHETRPC3TRPC4TRPC5TSHR
Hydrochloric Acid SCHEMBL28115259 0.83 BCHE (0.88) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL7586522 0.83 BCHE (0.88) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL8492186 0.83 BCHE (0.72) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL14068347 0.83 BCHE (0.72) BCHETRPC3TRPC4TRPC5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040073-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. 2019-02-07 US disclosed
US-20190040073-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. 2019-02-07 US disclosed
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2017-11-02 US disclosed
WO-2017189828-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. (US) 2017-11-02 WO disclosed
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
WO-2002051810-A2 INTEGRIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 EP 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-20190040073-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 BCHE 3807/4885TRPC3 1969/4885TRPC4 2813/4885
US-20170313708-A1 NONANOIC AND DECANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 BCHE 3807/4885TRPC3 1969/4885TRPC4 2813/4885

“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.