SCHEMBL16992452

SCHEMBL16992452

c1cc(C2CCNCC2)no1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP7 Q93009 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
PLG P00747 1/20 0.35
QDPR P09417 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL23501034 0.89 HTR3A (0.42) SLC18A3SIGMAR1
SCHEMBL23501033 0.89 HTR3A (0.42) SLC18A3SIGMAR1
SCHEMBL110926 0.85
SCHEMBL17675557 0.81 EIF2AK4 (0.34) HRH4
SCHEMBL8060559 0.79 L3MBTL1 (0.36)
Formic Acid SCHEMBL28961942 0.74 CHRNA4 (0.31)
SCHEMBL657159 0.73 CHRM1 (0.42) USP7PLGQDPR
SCHEMBL18476760 0.71 SCD5 (0.36) MEN1KMT2AHTR2C
Hydrochloric Acid SCHEMBL18444483 0.70 SCD5 (0.35) MEN1KMT2AHTR2C
SCHEMBL872347 0.69 CYP17A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-107849039-A The aminopyridine compounds substituted through heteroaryl 百时美施贵宝公司 2018-03-27 CN disclosed
EP-3102568-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2016-12-14 EP disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 SLC18A3 140/4885SIGMAR1 683/4885USP7 4512/4885

“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.