SCHEMBL18929477

SCHEMBL18929477

Cc1ccc(C2CCCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP11B2 P19099 1/20 0.50
TNKS O95271 1/20 0.43
CHRNA7 P36544 1/20 0.41
PSMB5 P28074 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ABL1 P00519 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 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
SCHEMBL11962323 0.98 SMN1; SMN2 (0.54) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL27388761 0.98 SMN1; SMN2 (0.54) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL27284020 0.98 SMN1; SMN2 (0.54) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL12093737 0.96 KDM4E (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1610503 0.91 TNKS (0.48) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20037855 0.84 CYP2D6 (0.50)
SCHEMBL15448506 0.84 ESR2 (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL12975623 0.82 HTR2C (0.47)
SCHEMBL19088565 0.82 TNKS (0.43) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL18291382 0.82 CYP2D6 (0.44)

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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
US-20200287143-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-10 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
EP-2338882-B1 2-((6-(Haloalkyl substituted))pyridin-3-yl)-tetrahydro-1H-1(lamba)4-thien-1-ylidenecyanamide derivatives and related compounds as pesticides and insecticides DOW AGROSCIENCES LLC (US) 2017-06-07 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 (2 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A KDM4E 2496/4885GLA 587/4885HTT 4781/4885
US-20200287143-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SCO2, RER1, ORC3 KDM4E 2951/4885GLA 2407/4885HTT 3412/4885

“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.