SCHEMBL20150082

SCHEMBL20150082

COc1c(C(C)C)cccc1-n1nccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
FAAH O00519 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL20150094 0.83 ATP4A (0.34) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL20150084 0.80 NPC1 (0.44) TSHRALOX15LMNAHPGDHCRTR1
SCHEMBL12862574 0.78 FAAH (0.48) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL21375830 0.77 HCRTR1 (0.38) TSHRLMNACYP1A2CYP3A4HTR2B
SCHEMBL19732402 0.77 GABRA1 (0.38) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL20150089 0.77 TSHR (0.38) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL22040918 0.76 NOTUM (0.43) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL5548772 0.75 GABRA1 (0.50) TSHRALOX15FAAHGABRA1GABRG2
SCHEMBL20150092 0.75 ALOX15 (0.50) TSHRALOX15LMNACYP1A2CYP3A4
SCHEMBL20150093 0.75 ALOX15 (0.38) TSHRALOX15CYP1A2CYP3A4HPGD

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-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885FAAH 4451/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885FAAH 4451/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885FAAH 4451/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885FAAH 4451/4885

“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.