SCHEMBL20740768

SCHEMBL20740768

Cc1cc(C(N)=O)nn1-c1ccc2c(c1)c(C1=CCN(C(=O)OC(C)(C)C)CC1)cn2Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.43
▸ GPR119 Q8TDV5 7/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ GABRG1 Q8N1C3 1/20 0.40
▸ GABRG3 Q99928 1/20 0.40
▸ GABRQ Q9UN88 1/20 0.40
▸ SCN9A Q15858 1/20 0.38
▸ KIT P10721 1/20 0.37

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
SCHEMBL30534840 1.00 HTR6 (0.43) HTR6GPR119GABRPGABRDGABRA1
SCHEMBL28386063 0.91 HTR6 (0.35) HTR6SCN9A
SCHEMBL20740778 0.88 HTR6 (0.43) HTR6SCN9A
SCHEMBL20696879 0.82 SCN9A (0.35) SCN9A
SCHEMBL29948870 0.82 HTR6 (0.44) HTR6SCN9A
SCHEMBL20680634 0.82 HTR6 (0.44) HTR6SCN9A
SCHEMBL29948714 0.82 SCN9A (0.35) SCN9A
SCHEMBL20740735 0.81 GRM1 (0.39) GPR119GABRPGABRDGABRA1GABRB1
SCHEMBL30534835 0.81 GRM1 (0.39) GPR119GABRPGABRDGABRA1GABRB1
SCHEMBL20697136 0.79 SCN9A (0.39) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997654-B Indole derivatives and uses thereof 诺华股份有限公司 2023-08-15 — — CN disclosed
EP-3658546-B1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-10-26 — — EP disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 — — US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 — — 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-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK HTR6 326/4885GPR119 311/4885GABRP 2858/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK HTR6 326/4885GPR119 311/4885GABRP 2858/4885

“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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