SCHEMBL6581697

SCHEMBL6581697

O=C1C[C@H](c2ccc(F)cc2)CCN1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CHRM4 P08173 1/20 0.46

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
SCHEMBL7812899 1.00 HPGD (0.59) HPGDTSHRHTTKCNH2GRIN2B
SCHEMBL28169051 0.84 TP53 (0.50) HTTKCNH2GRIN2B
SCHEMBL28298576 0.83 PDE4A (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3038179 0.77 HPGD (0.56) HPGDTSHRGRIN2BCHRM4
SCHEMBL24791557 0.76 PDE4A (0.48) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9563914 0.76 HPGD (0.52) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL16033027 0.75 HPGD (1.00) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL12563130 0.75 KCNH2 (0.47) KCNH2GRIN2B
SCHEMBL2794992 0.74 HTT (0.44) HTTKCNH2GRIN2B
SCHEMBL11123316 0.74 HPGD (0.53) HPGDTSHRGRIN2BCHRM4

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 8 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
EP-0986389-A4 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2001-09-12 EP disclosed
EP-0986389-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-22 EP disclosed
WO-1998053824-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-03 WO 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 HPGD 1363/4885TSHR 3205/4885HTT 941/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B HPGD 1673/4885TSHR 2879/4885HTT 1281/4885

“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.