SCHEMBL15520820

SCHEMBL15520820

Cc1cc(C)c2ccn(C3CCCCCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ GRM1 Q13255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ TAS1R2 Q8TE23 2/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL18280721 0.81 TAS1R3 (0.35) PSMB5ALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL15520839 0.81 TAS1R3 (0.35) PSMB5ALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL16821937 0.81 PSMB5 (0.31) PSMB5
SCHEMBL16821917 0.80 SLC18A3 (0.41) PSMB5MEN1KMT2ATSHRSYK
SCHEMBL16821926 0.78 KDM4E (0.38) PSMB5ALDH1A1POLB
SCHEMBL16821941 0.77 JAK2 (0.31) PSMB5ALDH1A1TSHR
SCHEMBL16821932 0.74 CNR1 (0.45) PDE4APDE4BPDE4CPDE4DPSMB5
SCHEMBL10064849 0.72 HTR2A (0.40) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL16821909 0.71 GLA (0.37) ALDH1A1MEN1KMT2AGRM1GAA
SCHEMBL26408284 0.69 ADRB2 (0.37) ALDH1A1MAPTGAAPOLB

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 6 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
EP-2892880-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2015-07-15 — — EP disclosed
US-20150175539-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-06-25 — — US disclosed
WO-2014037900-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-03-13 — — WO 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 PDE4A 1752/4885PDE4B 2359/4885PDE4C 2647/4885
US-20210032202-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 PDE4A 1782/4885PDE4B 2385/4885PDE4C 2759/4885
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 PDE4A 1752/4885PDE4B 2359/4885PDE4C 2647/4885

“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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