SCHEMBL6893049

SCHEMBL6893049

COC(=O)C1CCC(CN2CCNCC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
USP19 O94966 1/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA1 P30542 1/20 0.33
HSP90AA1 P07900 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL6893054 1.00 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTBRD4TP53
SCHEMBL1583511 0.83 USP19 (0.35) ALDH1A1SMN1; SMN2USP19
Hydrochloric Acid SCHEMBL2650625 0.81 USP19 (0.34) ALDH1A1SMN1; SMN2USP19
SCHEMBL2946742 0.80 KDM4E (0.41) ALDH1A1SMN1; SMN2BRD4TP53GAA
SCHEMBL2946744 0.80 KDM4E (0.41) ALDH1A1SMN1; SMN2BRD4TP53GAA
SCHEMBL27522249 0.77 TP53 (0.41) ALDH1A1SMN1; SMN2HTTTP53GAA
SCHEMBL1583393 0.77 USP19 (0.38) USP19OPRD1OPRK1
SCHEMBL4173987 0.77 USP19 (0.41) USP19OPRD1OPRK1
SCHEMBL30288922 0.76 DRD2 (0.50) GAA
SCHEMBL27591836 0.75 USP19 (0.34) USP19

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-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 ALDH1A1 2304/4885SMN1; SMN2 2803/4885HTT 3990/4885

“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.