SCHEMBL7141126

SCHEMBL7141126

Cc1cccc([C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
ACHE P22303 3/20 0.48
SCN4A P35499 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 5/20 0.44
BACE1 P56817 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
OPRL1 P41146 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7141118 1.00 SIGMAR1 (0.48) SIGMAR1ACHESCN4ACYP1A2CYP3A4
SCHEMBL7518873 0.85 DRD2 (0.57) SIGMAR1SCN4A
SCHEMBL12975924 0.79 FUCA1 (0.53) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL13999717 0.78 DRD2 (0.50) SIGMAR1ACHEPOLB
SCHEMBL13406114 0.78 ACHE (0.58) SIGMAR1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL3631358 0.78 DRD2 (0.50) SIGMAR1ACHEPOLB
SCHEMBL13406112 0.78 ACHE (0.58) SIGMAR1ACHECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2883130 0.78 SIGMAR1 (0.54) SIGMAR1ACHESCN4APOLBOPRL1
SCHEMBL6334669 0.77 SIGMAR1 (0.43) SIGMAR1ACHESCN4ABCHEBACE1
SCHEMBL6339678 0.77 SIGMAR1 (0.43) SIGMAR1ACHESCN4ABCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240141-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2003-11-19 EP disclosed
US-20030109532-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2003-06-12 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-20030109532-A1 Modulators of dopamine neurotransmission OPRD1, CHRNA5, OPRM1 SIGMAR1 5/4885ACHE 882/4885SCN4A 357/4885

“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.