SCHEMBL17066211

SCHEMBL17066211

CC(C)c1ccc(C2CCC(N)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
HPGD P15428 1/20 0.43
IDO1 P14902 2/20 0.38
ESR2 Q92731 2/20 0.38
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
HTR6 P50406 1/20 0.34
HSD11B1 P28845 1/20 0.34
ACACB O00763 1/20 0.34
TYR P14679 1/20 0.33
POLB P06746 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
SCHEMBL19808176 1.00 SPHK1 (0.47) SPHK1KDM1AMAOBHPGDIDO1
SCHEMBL12824421 0.80 HPGD (0.43) HPGDIDO1ESR2ALDH1A1TDP1
SCHEMBL25094814 0.80 ESR2 (0.59) HPGDESR2ALDH1A1FFAR1HSD11B1
SCHEMBL11213083 0.79 HPGD (0.50) HPGDHTTALDH1A1TDP1
SCHEMBL7923165 0.79 KDM1A (0.50) SPHK1KDM1AMAOBESR2ALDH1A1
SCHEMBL15187980 0.77 HPGD (0.41) HPGDIDO1ESR2ALDH1A1TDP1
SCHEMBL29342719 0.77 ADRB2 (0.48) SPHK1ESR2ALDH1A1FFAR1HSD11B1
SCHEMBL1570625 0.77 KDM1A (0.49) SPHK1KDM1AMAOBHPGDESR2
SCHEMBL9989135 0.77 ADRB2 (0.48) SPHK1ESR2ALDH1A1FFAR1HSD11B1
SCHEMBL13877362 0.77 ADRB2 (0.48) SPHK1ESR2ALDH1A1FFAR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
US-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-04 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 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 (2 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-20160030430-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 SPHK1 428/4885KDM1A 2591/4885MAOB 1973/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 SPHK1 428/4885KDM1A 2591/4885MAOB 1973/4885

“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.