SCHEMBL6576777

SCHEMBL6576777

OCC1CN(Cc2ccccc2)CC[C@H]1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
BACE1 P56817 3/20 0.52
SLC18A3 Q16572 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CCR5 P51681 2/20 0.49
GBA1 P04062 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL4029197 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7240145 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL4029196 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL4030955 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7239120 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7468131 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7468128 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7468123 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7248619 0.88 ACHE (0.53) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7248624 0.88 ACHE (0.53) BCHEACHEBACE1SLC18A3SIGMAR1

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 BCHE 1912/4885ACHE 415/4885BACE1 506/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B BCHE 2370/4885ACHE 394/4885BACE1 1117/4885

“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.