SCHEMBL19853561

SCHEMBL19853561

CC(C)c1cccnc1N1CCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
HTR2C P28335 1/20 0.44
MAPT P10636 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PLD1 Q13393 1/20 0.43

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
SCHEMBL19107153 0.94 EPHX2 (0.55) EPHX2HTR2CPLD1
SCHEMBL18842836 0.89 EPHX2 (0.48) EPHX2CHRNB2CHRNA4HTR2CMAPT
SCHEMBL26790144 0.86 CYP1A2 (0.45)
SCHEMBL10094245 0.86 CYP1A2 (0.49) MAPT
SCHEMBL2609324 0.85 CYP1A2 (0.51)
SCHEMBL6111507 0.82 EPHX2 (0.52) EPHX2HTR2CPLD1
SCHEMBL14818765 0.81 EPHX2 (0.54) EPHX2CHRNB2CHRNA4HTR2CPLD1
SCHEMBL9078264 0.79 EPHX2 (0.49) EPHX2HTR2CPLD1
SCHEMBL28082095 0.79 EPHX2 (0.49) EPHX2HTR2CPLD1
SCHEMBL19107154 0.77 HRH4 (0.50) HTR2C

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-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 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 (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-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 EPHX2 2204/4885CHRNB2 3485/4885CHRNA4 4094/4885

“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.