SCHEMBL16821909

SCHEMBL16821909

Fc1cc(F)c2ccn(C3CCCCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ PER2 O15055 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR1F P30939 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SCD O00767 2/20 0.32
▸ GRM1 Q13255 2/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL592408 0.83 ABCB1 (0.36) GLAPOLBHSD17B10KDM4ENPC1
SCHEMBL27266648 0.83 HTR2A (0.33) GLAPOLBHSD17B10KDM4ENPC1
SCHEMBL18280725 0.80 KDM4E (0.35) KDM4EHCAR1
SCHEMBL21624191 0.75 GRM2 (0.36) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL30006217 0.75 GRM2 (0.36) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL15520820 0.71 PDE4A (0.38) GLAPOLBALDH1A1GAAGRM1
SCHEMBL28882191 0.70 DAO (0.38) —
SCHEMBL30292341 0.69 HTR2A (0.43) GLAPOLBHTR1AHTR1DHTR1B
SCHEMBL30292300 0.69 HTR2A (0.43) GLAPOLBHTR1AHTR1DHTR1B
SCHEMBL25387062 0.67 SCD (0.33) SCD

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 GLA 2072/4885POLB 2317/4885HSD17B10 876/4885
US-20210032202-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 GLA 2187/4885POLB 2458/4885HSD17B10 748/4885
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 GLA 2072/4885POLB 2317/4885HSD17B10 876/4885

“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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