SCHEMBL7214016

SCHEMBL7214016

CN1CCCC1CCNC(=O)N(CCO)CCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.40
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
CHRM4 P08173 1/20 0.35
EPHX1 P07099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GLS O94925 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLR1A O95602 1/20 0.33

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
SCHEMBL7214022 1.00 ACKR3 (0.40) ACKR3CYP1A2ALDH1A1SIGMAR1FPR3
SCHEMBL7514193 0.86 ACKR3 (0.35) ACKR3CYP1A2ALDH1A1SIGMAR1FPR3
SCHEMBL7514191 0.86 ACKR3 (0.35) ACKR3CYP1A2ALDH1A1SIGMAR1FPR3
SCHEMBL7213907 0.81 CA12 (0.40) CYP1A2ALDH1A1SIGMAR1HRH3
SCHEMBL7220238 0.81 CA12 (0.40) CYP1A2ALDH1A1SIGMAR1HRH3
SCHEMBL27457772 0.81 CA12 (0.40) CYP1A2ALDH1A1SIGMAR1HRH3
SCHEMBL7213998 0.80 SIGMAR1 (0.46) ALDH1A1SIGMAR1
SCHEMBL6731438 0.79 PKM (0.41) ALDH1A1SIGMAR1EPHX1
SCHEMBL7220859 0.79 SIGMAR1 (0.36) SIGMAR1EPHX1HRH3
SCHEMBL7220863 0.79 SIGMAR1 (0.36) SIGMAR1EPHX1HRH3

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-1148349-C N-substituted-N' -substituted urea derivatives and their use as TNF-alpha production inhibitors ������ҩ��ʽ���� 2004-05-05 CN disclosed
US-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
CN-1352632-A N-substituted-N' -substituted urea derivatives and their use as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2002-06-05 CN disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK ACKR3 1677/4885CYP1A2 1613/4885ALDH1A1 740/4885

“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.