SCHEMBL18965735

SCHEMBL18965735

CC(C)(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.70
TSHR P16473 1/20 0.63
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.56
NR1I2 O75469 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CNR1 P21554 1/20 0.56
HRH1 P35367 1/20 0.56
OPRK1 P41145 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
GHSR Q92847 1/20 0.56
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
CHRNA7 P36544 1/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL1044315 0.85 KCNH2 (0.58) DRD4MEN1KMT2ALMNANR1I2
SCHEMBL18965827 0.84 DRD4 (0.64) DRD4TSHRDRD2DRD3KDM4E
SCHEMBL12125852 0.83 MAPK1 (0.68) TSHRMEN1KMT2ALMNANPC1
SCHEMBL6031812 0.83 DRD4 (1.00) DRD4DRD2DRD3CHRNA7KDM4E
SCHEMBL7604485 0.82 DRD4 (0.77) DRD4LMNADRD2DRD3CHRNA7
SCHEMBL12861757 0.80 DRD4 (0.79) DRD4TSHRDRD2DRD3KDM4E
SCHEMBL22532699 0.80 DRD4 (0.79) DRD4L3MBTL1DRD2DRD3CHRNA7
SCHEMBL4649494 0.80 DRD4 (0.87) DRD4MEN1KMT2AL3MBTL1DRD2
SCHEMBL5988914 0.80 DRD4 (0.55) DRD4TSHRMEN1KMT2ALMNA
SCHEMBL14094665 0.80 DRD4 (0.68) DRD4LMNAL3MBTL1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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 (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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 DRD4 2480/4885TSHR 788/4885MEN1 4515/4885

“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.