SCHEMBL3066804

SCHEMBL3066804

CCCCOc1ccccc1CCN(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
TAAR1 Q96RJ0 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
PRKCD Q05655 1/20 0.48
PAK1 Q13153 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48

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
SCHEMBL3058007 0.92 DRD2 (0.55) HRH1DRD2DRD1DRD4DRD5
SCHEMBL12844288 0.87 HRH1 (0.65) HRH1DRD2DRD1DRD4DRD5
SCHEMBL3053778 0.84 MAPT (0.53) HRH1DRD2DRD1DRD4DRD5
SCHEMBL7999552 0.84 PPARD (0.60) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL919038 0.84 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL12634482 0.83 DRD2 (0.54) HRH1DRD2DRD1DRD4DRD5
SCHEMBL11254068 0.82 HRH1 (0.63) HRH1DRD2DRD1DRD4DRD5
SCHEMBL11344012 0.81 THRA (0.55) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL6669407 0.81 THRA (0.55) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D
SCHEMBL11345175 0.81 THRA (0.55) CYP1A2CYP2C9CYP2C19CSNK1A1CSNK1D

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-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 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-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX HRH1 3560/4885DRD2 4392/4885DRD1 4342/4885

“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.