SCHEMBL17222806

SCHEMBL17222806

Cc1cc(C)c(-n2cc[n+](C3CCCCCCC3)c2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ TAS1R2 Q8TE23 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PSMB5 P28074 1/20 0.30

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
SCHEMBL17222816 1.00 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL17222834 1.00 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL15806237 1.00 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
Hydrochloric Acid SCHEMBL16341294 0.98 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL17222832 0.98 — —
Hydrochloric Acid SCHEMBL16341140 0.97 — —
SCHEMBL16340855 0.94 — —
SCHEMBL16341690 0.94 — —
SCHEMBL16341694 0.94 — —
SCHEMBL16341734 0.94 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776178-B2 Ruthenium complexes comprising an asymmetrical unsaturated N-heterocyclic diaminocarbene ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2017-10-03 — — US disclosed
US-9688641-B2 Process for preparing asymmetrical imidazolium salts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2017-06-27 — — US disclosed
US-9688641-B2 Process for preparing asymmetrical imidazolium salts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2017-06-27 — — US disclosed
US-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts Ecole National Superieure de Chimie de Rennes (FR) 2015-11-19 — — US disclosed
US-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts Ecole National Superieure de Chimie de Rennes (FR) 2015-11-19 — — US disclosed
US-20150315223-A1 Ruthenium Complexes Comprising an Asymmetrical Unsaturated N-Heterocyclic Diaminocarbene CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS (FR) 2015-11-05 — — 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-20150329494-A1 Process for Preparing Asymmetrical Imidazolium Salts HRH4, F12, ADH1A TAS1R3 1411/4885TAS1R1 956/4885TAS1R2 1547/4885
US-20150315223-A1 Ruthenium Complexes Comprising an Asymmetrical Unsaturated N-Heterocyclic Diaminocarbene ORC3, RFC3, NCOA3 TAS1R3 1519/4885TAS1R1 2561/4885TAS1R2 1978/4885

“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.

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