SCHEMBL7724186

SCHEMBL7724186

CN(CCC1CCCCC1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 12/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.36

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
SCHEMBL11209572 0.83 BCHE (0.46) SIGMAR1ACHEBCHE
Hydrochloric Acid SCHEMBL6582411 0.83 BRD4 (0.47) CHRM5CHKAACHE
SCHEMBL12420733 0.75 PTGES (0.45) KMT2A
SCHEMBL27551911 0.74 ALDH1A1 (0.41) SIGMAR1ACHEALDH1A1MAPK1KMT2A
SCHEMBL27528019 0.72 BCHE (0.44) ACHEBCHEALDH1A1
SCHEMBL22337207 0.71 SIGMAR1 (0.45) SIGMAR1ACHEBCHEKMT2A
SCHEMBL21609721 0.71 SIGMAR1 (0.45) SIGMAR1ACHEBCHEKMT2A
SCHEMBL27599165 0.71 NPC1 (0.43) SIGMAR1ACHEBCHEALDH1A1KMT2A
SCHEMBL8281666 0.70 CHRM5 (0.52) CHRM5CHKA
SCHEMBL14409566 0.70 CHRM5 (0.52) CHRM5CHKABCHESMN1; SMN2KMT2A

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 339/4885CHRM5 1244/4885CHKA 906/4885

“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.