SCHEMBL6579768

SCHEMBL6579768

O=C1[C@H](c2ccc(F)cc2)CCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.51
CRY2 Q49AN0 1/20 0.51
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
DRD2 P14416 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KCNH2 Q12809 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL7805639 1.00 PER2 (0.51) PER2CRY2GRIN2BGRIN2DGRIN3B
SCHEMBL6581110 1.00 PER2 (0.51) PER2CRY2GRIN2BGRIN2DGRIN3B
SCHEMBL17138501 0.90 CHRM2 (0.52) PER2CRY2L3MBTL1CHRM2CHRM4
SCHEMBL24200353 0.90 CHRM2 (0.52) PER2CRY2L3MBTL1CHRM2CHRM4
SCHEMBL20908736 0.82 POLB (0.50) SIGMAR1
SCHEMBL7846535 0.82 OPRK1 (0.43) SIGMAR1L3MBTL1
SCHEMBL21405626 0.78 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31584463 0.78 KCNH2 (0.50) KCNH2CHRM2CHRM4CHRM5CHRM1
SCHEMBL12563130 0.77 KCNH2 (0.47) GRIN2BKCNH2
SCHEMBL5758709 0.77 L3MBTL1 (0.51) PER2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986389-B1 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2004-10-13 EP disclosed
US-20040147754-A1 Novel process SMITHKLINE BEECHAM PLC 2004-07-29 US disclosed
US-6716985-B2 ALCOHOLISM, PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-06 US disclosed
US-6489347-B1 NOVEL INTERMEDIATE CARBOXALDEHYDES FOR PHARMACEUTICAL PRODUCTS WITH ANTIDEPRESSANT AND ANTI-PARKINSON PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2002-12-03 US disclosed
US-20020133011-A1 Novel process SMITHKLINE BEECHAM PLC 2002-09-19 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 (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-20020133011-A1 Novel process HTR1A, HTR4, MAOA PER2 2516/4885CRY2 2653/4885GRIN2B 83/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B PER2 1983/4885CRY2 2180/4885GRIN2B 33/4885

“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.