SCHEMBL7055121

SCHEMBL7055121

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
ACACB O00763 1/20 0.40
DRD3 P35462 1/20 0.40
F10 P00742 5/20 0.39
MAPK8 P45983 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6887955 1.00 DRD2 (0.44) DRD2ACACBDRD3F10MAPK8
SCHEMBL6895114 0.87 STS (0.46) F10KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6887679 0.85 F10 (0.40) F10MEN1KMT2A
Hydrochloric Acid SCHEMBL6887682 0.85 F10 (0.40) F10MEN1KMT2A
SCHEMBL7053070 0.84 STS (0.43) F10
SCHEMBL7053831 0.83 PKM (0.44) F10KMT2APOLB
SCHEMBL7053829 0.83 PKM (0.44) F10KMT2APOLB
SCHEMBL7047789 0.81 AKR1C3 (0.45) F10
SCHEMBL7047791 0.81 AKR1C3 (0.45) F10
Hydrochloric Acid SCHEMBL6888329 0.80 F10 (0.41) F10SMN1; SMN2

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 DRD2 1934/4885ACACB 4010/4885DRD3 1999/4885

“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.