SCHEMBL7724183

SCHEMBL7724183

c1cc(CNCCC2CCCCC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
EPHX1 P07099 1/20 0.47
MAPT P10636 1/20 0.47
CXCR4 P61073 2/20 0.45
CXCL12 P48061 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 2/20 0.43
PRMT3 O60678 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL23023177 0.83 SIGMAR1 (0.77) SIGMAR1
SCHEMBL3123686 0.83 HDAC6 (0.56) SIGMAR1EPHX1MAPTCXCR4PKM
SCHEMBL23023029 0.83 SIGMAR1 (0.77) SIGMAR1
SCHEMBL10425868 0.81 SIGMAR1 (0.73) SIGMAR1MAPT
SCHEMBL23022866 0.77 SIGMAR1 (0.69) SIGMAR1MAPT
SCHEMBL29444840 0.75 MEN1 (0.56) CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1347800 0.74 CXCR4 (0.47) SIGMAR1CXCR4CXCL12ALDH1A1
SCHEMBL13928873 0.74 CXCR4 (0.47) SIGMAR1CXCR4CXCL12
SCHEMBL31547204 0.73 SIGMAR1 (0.88) SIGMAR1CXCR4CXCL12
SCHEMBL22495345 0.73 SIGMAR1 (0.63) SIGMAR1MAPT

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
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN disclosed
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
CN-1318051-A Novel urea derivative having aromatic nitrogen-containing heterocycle SANTEN PHARMACEUTICAL CO LTD (JP) 2001-10-17 CN disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 SIGMAR1 339/4885EPHX1 1295/4885MAPT 3782/4885

“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.