SCHEMBL17137292

SCHEMBL17137292

CC1(C)OB(c2ccc3c(c2)ncn3-c2ccc(C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
FGFR1 P11362 9/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL17137144 0.91 HPGD (0.39) HPGDFGFR1ALDH1A1CYP11B2HTT
SCHEMBL17149327 0.86 FGFR1 (0.51) HPGDFGFR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1129103 0.85 FGFR1 (0.56) FGFR1ALDH1A1NPC1HTTRAB9A
SCHEMBL17136919 0.82 QPCT (0.50) SMN1; SMN2CYP11B2LMNAHTT
SCHEMBL3497920 0.77 HTT (0.55) FGFR1HTT
SCHEMBL17149331 0.77 FGFR1 (0.42) HPGDFGFR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL25419693 0.77 MKNK2 (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30481337 0.77 MKNK2 (0.40) FGFR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31144717 0.76 FGFR1 (0.45) HPGDFGFR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29520760 0.76 FFAR1 (0.38) MAPTSMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20200361929-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-11-19 US disclosed
US-20200361929-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-11-19 US disclosed
US-10730866-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2020-08-04 US disclosed
US-10730866-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2020-08-04 US disclosed
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 US disclosed
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 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 (4 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-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 HPGD 2544/4885FGFR1 1104/4885ALDH1A1 1024/4885
US-20200361929-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 HPGD 2544/4885FGFR1 1104/4885ALDH1A1 1024/4885
US-10730866-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 HPGD 2544/4885FGFR1 1104/4885ALDH1A1 1024/4885
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 HPGD 2544/4885FGFR1 1104/4885ALDH1A1 1024/4885

“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.