SCHEMBL27202118

SCHEMBL27202118

O=C(Nc1ccc(I)cc1)[C@@H]1C[C@H]1c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
DEGS1 O15121 1/20 0.49
ITK Q08881 1/20 0.48
SCN3A Q9NY46 3/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 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
SCHEMBL27202114 1.00 NAMPT (0.51) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL30901952 0.80 NAMPT (0.51) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL24543103 0.79 GPR88 (0.52) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL29730351 0.79 GPR88 (0.52) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL24543208 0.78 SMN1; SMN2 (0.48) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL30901934 0.78 GPR88 (0.48) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL29730320 0.78 GPR88 (0.56) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL24543221 0.78 GPR88 (0.48) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL24543201 0.78 GPR88 (0.56) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL30901933 0.78 GPR88 (0.56) NAMPTSMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 US disclosed
EP-4263492-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2023-10-25 EP disclosed
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 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 (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-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 NAMPT 4122/4885SMN1; SMN2 2024/4885ALDH1A1 2127/4885

“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.