SCHEMBL16273199

SCHEMBL16273199

Cc1cc(C)c2c(n1)sc1c(NC3CCCCC3)nn(CCO)c12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 14/20 0.53
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL14794648 0.99 CHRM4 (0.54) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794375 0.91 CHRM4 (0.45) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794600 0.90 CHRM4 (0.45) CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL14794447 0.90 CHRM4 (0.45) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794619 0.87 CHRM4 (0.42) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794567 0.87 CHRM4 (0.41) CHRM4KDM4EALDH1A1SMN1; SMN2
SCHEMBL16274406 0.86 CHRM4 (0.59) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794593 0.85 CHRM4 (0.59) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794147 0.84 CHRM4 (0.60) CHRM4KDM4EALDH1A1LMNAPOLB
SCHEMBL14794598 0.82 SMN1; SMN2 (0.42) CHRM4ALDH1A1SMN1; SMN2NPC1HTT

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-9056876-B2 Substituted 1H-pyrazolo[3′,4′,4,5]thieno[2,3-b]pyridin-3-amine analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2015-06-16 — — US disclosed
US-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2014-12-04 — — 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-20140357615-A1 SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 CHRM4 1/4885KDM4E 1138/4885ALDH1A1 3201/4885

“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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