SCHEMBL3484540

SCHEMBL3484540

CC(C)Cn1ccc2c(Oc3ccc(N)cc3Cl)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
HTR2A P28223 6/20 0.40
SLC2A1 P11166 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
RHEB Q15382 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2B P41595 1/20 0.35
PRMT5 O14744 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
MCL1 Q07820 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR1 P21453 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3484323 0.81 RHEB (0.54) EGFRERBB2RHEBCYP3A4HTR6
SCHEMBL3484005 0.71 EGFR (0.51) EGFRERBB2RHEB
SCHEMBL15652025 0.71 HTR2C (0.55) HTR2CHTR2ASLC2A1CYP3A4PRMT5
SCHEMBL3484572 0.69 ESRRA (0.56) RHEBCYP1A2CYP3A4
SCHEMBL1964539 0.68 CYP3A4 (0.56) HTR2ACYP3A4CYP2C9SLC6A2SLC6A4
SCHEMBL1138637 0.68 RHEB (0.56) RHEBSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3485103 0.68 RHEB (0.46) HTR2ARHEBCYP1A2CYP3A4HTR2B
Hydrochloric Acid SCHEMBL10884537 0.67 ESRRA (0.54) RHEBCYP1A2CYP3A4
SCHEMBL632218 0.67 CYP3A4 (0.46) EGFRERBB2RHEBCYP3A4SLC6A2
SCHEMBL1137495 0.67 RHEB (0.62) RHEBSLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 HTR2C 1412/4885HTR2A 1970/4885SLC2A1 3484/4885

“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.