SCHEMBL9367019

SCHEMBL9367019

[c]1ccccc1CCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
SLC6A3 Q01959 1/20 0.53
HRH3 Q9Y5N1 10/20 0.49
LTA4H P09960 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12076753 0.98 SLC6A3 (0.55) SIGMAR1SLC6A3HRH3LTA4HMBTD1
SCHEMBL28626341 0.84 SIGMAR1 (0.53) SIGMAR1HRH3LTA4HCYP1A2
SCHEMBL844842 0.83 HRH3 (0.47) SIGMAR1SLC6A3HRH3MBTD1L3MBTL3
SCHEMBL10926657 0.82 SIGMAR1 (0.56) SIGMAR1SLC6A3LTA4HL3MBTL1
SCHEMBL1741859 0.82 SIGMAR1 (0.56) SIGMAR1LTA4H
SCHEMBL844945 0.81 HRH3 (0.43) SIGMAR1SLC6A3HRH3MBTD1L3MBTL3
SCHEMBL10925676 0.80 CCR3 (0.61) SIGMAR1
SCHEMBL5380547 0.77 ALDH1A1 (0.39) SIGMAR1SLC6A3HRH3MBTD1L3MBTL3
SCHEMBL10925889 0.76 SIGMAR1 (0.58) SIGMAR1MBTD1L3MBTL3L3MBTL1
SCHEMBL27645919 0.75 ALDH1A1 (0.39) SIGMAR1SLC6A3HRH3MBTD1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
CN-101432281-B 6-0-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG 2013-08-28 CN disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
EP-0584192-A1 PRODRUG ESTERS OF PHENOLIC 2-PIPERIDINO-1-ALKANOLS PFIZER INC. (US) 1994-03-02 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-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling CSF1R, CSF3R, FLT3 SIGMAR1 654/4885SLC6A3 2291/4885HRH3 772/4885

“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.