SCHEMBL4548611

SCHEMBL4548611

CC(C)(C)c1cnc2c(C(C)(C)C)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CCR4 P51679 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NQO2 P16083 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
SCHEMBL20043225 0.86 CA2 (0.36) CA2MAPTTP53GABRA1GABRB2
SCHEMBL24656310 0.82 CA2 (0.36) CA2MAPTTP53GABRA1GABRB2
SCHEMBL24174511 0.82 PRMT5 (0.38) MAPTGABRA1GABRB2SLC40A1ALDH1A1
SCHEMBL26523037 0.81 CA2 (0.44) CA2MAPTTP53GABRA1GABRB2
SCHEMBL24109754 0.78 PDE10A (0.37) CA2MAPTTP53GABRA1GABRB2
SCHEMBL20043283 0.77 CCR1 (0.33) CCR1CCR5CCR8
SCHEMBL20043293 0.76 ALOX5AP (0.34)
SCHEMBL820776 0.75 PDE10A (0.47) MAPTALDH1A1KDM4E
SCHEMBL25101360 0.73 NQO2 (0.50) CA2MAPTALDH1A1PLA2G1BATG4B
SCHEMBL10250183 0.73 ALDH1A1 (0.48) CA2MAPTTP53GABRA1GABRB2

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-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (5 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CA2 2228/4885MAPT 4191/4885TP53 4755/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CA2 2228/4885MAPT 4191/4885TP53 4755/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET CA2 2785/4885MAPT 2653/4885TP53 58/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 CA2 3313/4885MAPT 793/4885TP53 197/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CA2 2228/4885MAPT 4191/4885TP53 4755/4885

“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.