SCHEMBL6209837

SCHEMBL6209837

CN1CCN(c2ccc3c(c2)Sc2c(CO)ccn2C=C3)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.37
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
PTK2B Q14289 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HTR3A P46098 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
ADRA2C P18825 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GFER P55789 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
SCHEMBL6210150 0.84 KDM4E (0.33) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL6208236 0.84 KDM4E (0.39) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL6209668 0.80 ALDH1A1 (0.40) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL6208852 0.75 DRD3 (0.48) KDM4EGAAMAPTPTK2BMAPK1
SCHEMBL3285994 0.71 ADRB1 (0.46) MAPTHTTHTR3AALDH1A1
SCHEMBL14922272 0.68 CHKA (0.54) CHKAKDM4EGAAMAPTPTK2B
SCHEMBL11245265 0.67 DRD4 (0.57) CHKAKDM4EGAAMAPTPTK2B
SCHEMBL14922279 0.67 CHKA (0.50) CHKAKDM4EGAAMAPTPTK2B
SCHEMBL2228798 0.65 CHKA (0.51) CHKAKDM4EGAAMAPTPTK2B
SCHEMBL10061499 0.64 KDM4E (0.61) CHKAKDM4EGAAMAPTPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307463-B1 PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2005-01-26 EP disclosed
US-6710041-B2 Pyrrolo[2,1-B][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-03-23 US disclosed
US-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-10-02 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-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity TPH1, GRIN2C, GRIN2B CHKA 3637/4885KDM4E 1986/4885GAA 1473/4885

“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.