SCHEMBL2409797

SCHEMBL2409797

CN(CCn1ccc2ccccc21)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
HTR6 P50406 4/20 0.49
HTR1D P28221 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SMPD1 P17405 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4060777 0.80 HTR2C (1.00) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL3990419 0.74 HTR2C (0.81) HTR2AHTR2CCDK4CCND1HTR1D
SCHEMBL2036331 0.74 HTR2A (0.70) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL11366447 0.74 CDK4 (1.00) HTR2AHTR2CCDK4CCND1HTR6
Hydrochloric Acid SCHEMBL11486417 0.73 HTR2A (0.78) HTR2AHTR2CCDK4CCND1HTR1D
SCHEMBL2404374 0.72 KMT2A (0.55) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL29372496 0.71 CDK4 (0.76) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL3595410 0.71 CDK4 (0.76) HTR2AHTR2CCDK4CCND1HTR6
SCHEMBL1520197 0.70 HTR2A (0.62) HTR2AHTR2CCDK4CCND1MTNR1A
SCHEMBL5333543 0.70 CDK4 (0.61) HTR2AHTR2CCDK4CCND1HTR6

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR2A 46/4885HTR2C 80/4885CDK4 3031/4885

“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.