SCHEMBL3672784

SCHEMBL3672784

Oc1nc2ncc(Cl)cc2n1[C@@H](Cc1ccccc1)CN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
KCNJ4 P48050 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
MMP8 P22894 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
SCHEMBL3674204 1.00 NPC1 (0.39) NPC1KCNJ4KDM4ETSHRGAA
SCHEMBL3674487 0.91 ALDH1A1 (0.37) NPC1KDM4ETSHRGAAHPGD
SCHEMBL3770183 0.88 KDM4E (0.35) NPC1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL3673491 0.85 TP53 (0.36) NPC1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL3670815 0.85 TP53 (0.36) NPC1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL3673658 0.83 TSHR (0.33) NPC1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL3670834 0.83 PSEN1 (0.34) NPC1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL3674193 0.83 TSHR (0.33) NPC1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL14031210 0.80 MAPT (0.36) NPC1KDM4ETSHRSMN1; SMN2HPGD
SCHEMBL3776594 0.77 IRAK4 (0.35) TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 NPC1 4884/4885KCNJ4 4752/4885KDM4E 4360/4885

“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.