SCHEMBL4366937

SCHEMBL4366937

CC(Oc1cc(N)ccc1C(F)(F)F)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.36
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP3A4 P08684 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
TSHR P16473 2/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CNR1 P21554 1/20 0.36
GLRA1 P23415 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
SCHEMBL8587502 0.81 MEN1 (0.43) SLC6A3TSHRKDM4ESLC6A2SLC6A4
SCHEMBL8792804 0.81 MEN1 (0.43) SLC6A3TSHRKDM4ESLC6A2SLC6A4
SCHEMBL8587501 0.81 MEN1 (0.43) SLC6A3TSHRKDM4ESLC6A2SLC6A4
SCHEMBL521429 0.81 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL4362174 0.79 RORC (0.42) GHSRMAPK1
SCHEMBL8792376 0.78 MEN1 (0.48) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL6182630 0.74 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL6182634 0.74 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL6213643 0.74 MEN1 (0.35) SLC6A3CYP3A4TSHRCYP2C19LMNA
SCHEMBL5259192 0.74 MEN1 (0.35) SLC6A3CYP3A4TSHRCYP2C19LMNA

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO 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 (1 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS HTR2A 3297/4885SLC6A3 1921/4885ADORA2A 1714/4885

“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.