SCHEMBL16821932

SCHEMBL16821932

Cc1cc(C)c2ccn(CC3CCCCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.45
▸ GRIN2B Q13224 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ CNR2 P34972 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34

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
SCHEMBL14220738 0.75 HTR2A (0.50) CNR1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL17127815 0.74 HTR2A (0.37) CYP1A2MAPT
SCHEMBL15520820 0.74 PDE4A (0.38) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL32682387 0.71 PDE4A (0.37) CNR1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL1346670 0.71 GRIA2 (0.42) CNR1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL18280717 0.70 HTR2C (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL32682422 0.70 KDM1A (0.37) CNR1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL32682424 0.70 GRIN2B (0.38) CNR1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL1346577 0.69 GRIA2 (0.43) CNR1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL18280721 0.69 TAS1R3 (0.35) ALDH1A1MAPTPSMB5

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
US-20210032202-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTE FOR TROPICAL DISEASES PTE LTD. (SG) 2021-02-04 — — US disclosed
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 — — US disclosed
US-9447039-B2 Indole carboxamide derivatives and uses thereof NOVARTIS AG (CH) 2016-09-20 — — US disclosed
US-20150175539-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-06-25 — — 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 (3 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-20150175539-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 CNR1 252/4885GRIN2B 464/4885CYP1A2 393/4885
US-20210032202-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 CNR1 233/4885GRIN2B 485/4885CYP1A2 362/4885
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 CNR1 252/4885GRIN2B 464/4885CYP1A2 393/4885

“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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