Sugi Predict

Sugi Predict / Compounds / SCHEMBL7220288

SCHEMBL7220288

SCHEMBL7220288

CN(C)C1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL7213907 0.88 CA12 (0.40) ALDH1A1SIGMAR1HDAC1HDAC6NPC1
SCHEMBL27457772 0.88 CA12 (0.40) ALDH1A1SIGMAR1HDAC1HDAC6NPC1
SCHEMBL7220238 0.88 CA12 (0.40) ALDH1A1SIGMAR1HDAC1HDAC6NPC1
SCHEMBL7213998 0.87 SIGMAR1 (0.46) ALDH1A1SIGMAR1HDAC1HDAC6HSD11B1
SCHEMBL7213843 0.86 NPC1 (0.33) ALDH1A1CCR5SIGMAR1KDM1AUBE2M
Hydrochloric Acid SCHEMBL7216056 0.86 KDM1A (0.33) ALDH1A1CCR5SIGMAR1KDM1AUBE2M
SCHEMBL7220549 0.84 ALDH1A1 (0.51) ALDH1A1
SCHEMBL7213837 0.81 ALDH1A1 (0.47) ALDH1A1SIGMAR1
SCHEMBL7214697 0.81 EPHX1 (0.33) ALDH1A1SIGMAR1OPRM1OPRD1HDAC1
SCHEMBL7216051 0.81 ALDH1A1 (0.47) ALDH1A1SIGMAR1

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 ALDH1A1 740/4885CCR5 1033/4885SIGMAR1 526/4885

“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.