SCHEMBL23015397

SCHEMBL23015397

CC(C)NC1CN(c2ccc(C#N)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 8/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHRM4 P08173 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.43
▸ JAK1 P23458 4/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ PREP P48147 1/20 0.41
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL23775243 0.84 HRH4 (0.50) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL21534774 0.81 GRM4 (0.47) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL26748822 0.80 PANK3 (0.44) PANK3GPR119CNR2
SCHEMBL12683422 0.79 KDM4E (0.54) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL16478649 0.79 KDM4E (0.54) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL16718803 0.77 GRM4 (0.59) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL16718810 0.76 KDM4E (0.50) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL29940306 0.76 KDM4E (0.50) PANK3GRM4KDM4EALDH1A1L3MBTL1
SCHEMBL20805438 0.76 HRH3 (0.41) PANK3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17687628 0.76 HRH4 (0.52) KDM4EALDH1A1L3MBTL1GPR119JAK1

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-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-02-23 — — 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-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 PANK3 1712/4885GRM4 24/4885KDM4E 1030/4885

“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.

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