SCHEMBL9933193

SCHEMBL9933193

C[C@H](c1ccccn1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.49
PLD1 Q13393 1/20 0.49
KCNE1 P15382 1/20 0.49
SLC6A4 P31645 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
HTR7 P34969 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL2673019 1.00 KCNA5 (0.49) KCNA5PLD1KCNE1SLC6A4CHRM2
SCHEMBL9933454 1.00 KCNA5 (0.49) KCNA5PLD1KCNE1SLC6A4CHRM2
Hydrochloric Acid SCHEMBL25270424 0.98 KCNA5 (0.47) KCNA5PLD1KCNE1SLC6A4CHRM2
Hydrochloric Acid SCHEMBL29090699 0.98 KCNA5 (0.47) KCNA5PLD1KCNE1SLC6A4CHRM2
SCHEMBL9933491 0.85 KCNA5 (0.56) KCNA5PLD1KCNE1SLC6A4CHRM2
SCHEMBL9933366 0.85 KCNA5 (0.56) KCNA5PLD1KCNE1SLC6A4CHRM2
SCHEMBL9668033 0.84 KCNA5 (0.68) KCNA5KCNE1SLC6A4CHRM2CHRM1
SCHEMBL30364157 0.84 KCNA5 (0.62) KCNA5KCNE1SLC6A4CHRM2CHRM1
SCHEMBL8304948 0.83 MEN1 (0.55) KCNA5PLD1KCNE1SLC6A4MEN1
SCHEMBL9318039 0.83 KCNA5 (0.71) KCNA5KCNE1SLC6A4CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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 (2 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KCNA5 865/4885PLD1 2087/4885KCNE1 1207/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 KCNA5 4820/4885PLD1 2551/4885KCNE1 4408/4885

“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.