SCHEMBL2405302

SCHEMBL2405302

Cc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nccnc3-c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
CDK2 P24941 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
GAA P10253 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39

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
SCHEMBL2405096 0.93 TACR2 (0.43) TACR2POLBCDK4CCND1CDK2
SCHEMBL2410229 0.90 MTNR1A (0.41) TACR2POLBMAPTSMN1; SMN2CDK4
SCHEMBL2405988 0.90 HTR1A (0.43) TACR2HTR1ADRD2HTR2ASLC6A4
SCHEMBL1968625 0.89 TACR2 (0.53) TACR2CDK4CCND1CDK2HTR1B
SCHEMBL2403866 0.89 KMT2A (0.50) MTNR1AMTNR1BHTR1DHTR1BHTR1A
SCHEMBL1972300 0.89 CDK4 (0.49) TACR2POLBMAPTSMN1; SMN2CDK4
SCHEMBL2403134 0.88 MPO (0.43) MTNR1AMTNR1BHTR1AHTR2ASLC6A4
SCHEMBL2406200 0.88 HCRTR2 (0.45) TACR2CDK4CCND1MTNR1AMTNR1B
SCHEMBL2406656 0.85 GPR84 (0.44) TACR2CDK4CCND1CDK2HTR1A
SCHEMBL2404161 0.85 TACR2 (0.43) TACR2CDK4CCND1CDK2SLC6A4

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
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 TACR2 90/4885POLB 4374/4885MAPT 1419/4885

“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.