SCHEMBL6636645

SCHEMBL6636645

CCCCOC(Cc1ccccc1)C(N)[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
EPHX1 P07099 1/20 0.42
SIGMAR1 Q99720 5/20 0.40
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL745207 0.78 EPHX1 (0.50) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL8726699 0.78 EPHX1 (0.50) CSNK1EEPHX1SIGMAR1SLC6A2TAAR1
SCHEMBL10512424 0.76 MEN1 (0.46) CSNK1EEPHX1SIGMAR1SLC6A2TAAR1
SCHEMBL3275777 0.76 LTA4H (0.46) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL28475117 0.73 CSNK1E (0.50) CSNK1EEPHX1SIGMAR1SLC6A2TAAR1
SCHEMBL7759621 0.71 CSNK1E (0.47) CSNK1E
SCHEMBL8072690 0.71 LTA4H (0.42) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL3270666 0.71 CSNK1E (0.46) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL7924701 0.70 ALDH1A1 (0.41) CSNK1ESIGMAR1
SCHEMBL21243278 0.70 SIGMAR1 (0.42) CSNK1ESIGMAR1TAAR1

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
EP-0947513-B1 TRICYCLIC AMINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2004-05-19 EP disclosed
US-6586604-B2 Antimicrobial activity versus gram negative and gram positive bacteria DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-01 US disclosed
US-6384050-B1 GASTROINTESTINAL DISORDERS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
US-20010037030-A1 Tricyclic amine derivatives TAKEMURA MAKOTO (JP) 2001-11-01 US disclosed
EP-0947513-A1 TRICYCLIC AMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 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 (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-20010037030-A1 Tricyclic amine derivatives Q6ZSR9, TOP2A, TOP1 CSNK1E 1340/4885EPHX1 2918/4885SIGMAR1 387/4885

“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.