SCHEMBL7678645

SCHEMBL7678645

CCCC(Cl)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
SLC6A4 P31645 9/20 0.33
SLC6A2 P23975 8/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
SLC6A3 Q01959 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA2D1 P54289 2/20 0.32
OPRD1 P41143 2/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5605219 0.81 OPRD1 (0.37) SIGMAR1CYP2D6CYP19A1SLC6A4SLC6A2
SCHEMBL28205449 0.81 SLC6A3 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL3815697 0.79 SLC6A4 (0.41) SIGMAR1CYP2D6CYP19A1SLC6A4SLC6A2
SCHEMBL11724424 0.79 SIGMAR1 (0.37) SIGMAR1CYP2D6CYP19A1SLC6A4SLC6A2
SCHEMBL3822012 0.77 SIGMAR1 (0.36) SIGMAR1CYP2D6SLC6A4SLC6A2GNAI3
SCHEMBL6578962 0.77 SIGMAR1 (0.36) SIGMAR1CYP2D6CYP19A1SLC6A4SLC6A2
SCHEMBL23956553 0.76 SLC6A4 (0.39) SIGMAR1SLC6A4SLC6A2GNAI3GNAO1
SCHEMBL1408997 0.76 SIGMAR1 (0.39) SIGMAR1SLC6A4SLC6A2GNAI3GNAO1
SCHEMBL2116575 0.76 SIGMAR1 (0.36) SIGMAR1SLC6A4SLC6A2GNAI3GNAO1
SCHEMBL11101168 0.76 SIGMAR1 (0.36) SIGMAR1SLC6A4SLC6A2GNAI3GNAO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407106-B1 FOR THERAPY OF INFLAMMATORY DISTURBANCES OF THE GASTROINTESTINAL TRACT SOLVAY PHARMACEUTICALS GMBH (DE) 2002-06-18 US disclosed
US-20020065276-A1 N-triazolymethyl-piperazine compounds with neurokinin-receptor antagonist activity SOLVAY PHARMACEUTICALS GMBH (DE) 2002-05-30 US disclosed
CN-1020607-C PROCESS FOR PREPARATION OF BENZOTHIAZINE DERIVS. HOECHST AG (DE) 1993-05-12 CN disclosed
CN-85101312-A Process for preparing Benzothiazine derivatives 1987-04-08 CN disclosed
US-3969392-A PARASITICIDE, BACTERICIDE, ANTIINFLAMMATORY, SURFACTANT E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3935230-A α, α, α, α', α', α'-Hexafluorodi-m-tolylamine derivatives E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US 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-20020065276-A1 N-triazolymethyl-piperazine compounds with neurokinin-receptor antagonist activity NPSR1, NTSR2, NTSR1 SIGMAR1 134/4885CYP2D6 3967/4885CYP19A1 1801/4885

“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.