SCHEMBL30833270

SCHEMBL30833270

c1ccc(C2CCN3CCNCC3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
SLC18A3 Q16572 7/20 0.57
GRIN2B Q13224 3/20 0.51
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL18554691 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL27182137 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL11264960 0.86 HPGD (0.54) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL4072060 0.84 SLC18A3 (0.64) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
Hydrochloric Acid SCHEMBL4068642 0.83 SLC18A3 (0.62) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL17460207 0.82 SLC18A3 (0.66) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL21121132 0.78 HPGD (0.65) SMN1; SMN2HPGDKMT2ASLC18A3CYP2D6
SCHEMBL6621057 0.77 SMN1; SMN2 (0.97) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL6621926 0.77 SMN1; SMN2 (0.97) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B
SCHEMBL6621053 0.77 SMN1; SMN2 (0.97) SMN1; SMN2HPGDKMT2ASLC18A3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 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-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP SMN1; SMN2 4811/4885HPGD 2624/4885KMT2A 2629/4885

“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.