SCHEMBL16821913

SCHEMBL16821913

CC1CCC(n2ccc3c(F)cc(F)cc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 9/20 0.33
▸ TOP2B Q02880 9/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ SCD O00767 4/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL16821909 0.84 GLA (0.37) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL16821935 0.82 SCD (0.34) TOP2ATOP2BHTR1AHTR1DHTR1B
SCHEMBL27266648 0.81 HTR2A (0.33) TOP2ATOP2BHTR1AHTR1DHTR1B
SCHEMBL27266898 0.80 SCD (0.47) TOP2ATOP2BSCDMEN1KMT2A
SCHEMBL15520368 0.80 SCD (0.47) TOP2ATOP2BSCDMEN1KMT2A
SCHEMBL18280725 0.78 KDM4E (0.35) —
SCHEMBL15520260 0.77 SCD (0.49) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL30006217 0.76 GRM2 (0.36) TOP2ATOP2BHTR1AHTR1DHTR1B
SCHEMBL21624191 0.76 GRM2 (0.36) TOP2ATOP2BHTR1AHTR1DHTR1B
SCHEMBL16821922 0.73 HRH3 (0.35) TOP2ATOP2BSCD

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 TOP2A 3622/4885TOP2B 3546/4885HTR1A 48/4885
US-20210032202-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 TOP2A 3597/4885TOP2B 3555/4885HTR1A 21/4885
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 TOP2A 3622/4885TOP2B 3546/4885HTR1A 48/4885

“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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