SCHEMBL23043599

SCHEMBL23043599

Nc1cc(N2CCCCC2)ccc1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 1.00
GAA P10253 6/20 0.72
ALDH1A1 P00352 5/20 0.72
HTT P42858 5/20 0.72
LMNA P02545 3/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
MAPT P10636 3/20 0.72
TDP1 Q9NUW8 2/20 0.72
MEN1 O00255 2/20 0.72
ALOX15 P16050 2/20 0.72
KMT2A Q03164 2/20 0.72
MAPK1 P28482 2/20 0.72
PKM P14618 1/20 0.72
KDM4E B2RXH2 6/20 0.62
POLB P06746 3/20 0.57
HSD17B10 Q99714 2/20 0.57
KEAP1 Q14145 1/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53

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
SCHEMBL3537651 0.90 S100B (0.81) S100BGAAALDH1A1HTTLMNA
SCHEMBL3535292 0.90 S100B (0.81) S100BGAAALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL30501398 0.88 S100B (0.78) S100BGAAALDH1A1HTTLMNA
SCHEMBL30978430 0.88 S100B (0.77) S100BGAAALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL20598048 0.87 S100B (0.76) S100BGAAALDH1A1HTTLMNA
SCHEMBL3538453 0.84 ALDH1A1 (1.00) S100BGAAALDH1A1HTTLMNA
SCHEMBL2759980 0.83 MAPT (0.71) S100BGAAALDH1A1HTTLMNA
SCHEMBL8074303 0.83 MAPT (0.71) S100BGAAALDH1A1HTTLMNA
SCHEMBL8154041 0.82 ALDH1A1 (0.69) S100BGAAALDH1A1HTTLMNA
SCHEMBL7372826 0.81 MAPT (0.68) S100BGAAALDH1A1HTTLMNA

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
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 S100B 4459/4885GAA 154/4885ALDH1A1 1368/4885

“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.