SCHEMBL21473771

SCHEMBL21473771

CCC(C)c1ccc2ccc(C(C)CC)c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6c(C(C)CC)ccc7ccc(C(C)CC)cc67)ccc6ccc3c4c65)c2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL24699687 0.88
SCHEMBL21473767 0.85 KDM1A (0.32)
SCHEMBL14339357 0.81 CYP2C9 (0.36) TSHR
SCHEMBL21473773 0.81 NPSR1 (0.31)
SCHEMBL24699807 0.74 KDM1A (0.32)
SCHEMBL19770447 0.72 SIGMAR1 (0.33) CYP1A2TSHR
SCHEMBL12856567 0.72 ALDH1A1 (0.35) CYP1A2CYP2D6TSHR
SCHEMBL13339032 0.72 ALDH1A1 (0.30) TSHR
SCHEMBL13339041 0.71 SIGMAR1 (0.41) CYP1A2CYP2D6TSHR
SCHEMBL17929120 0.71 RCE1 (0.30)

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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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 (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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 CYP1A2 733/4885CYP2D6 1066/4885TSHR 4304/4885

“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.