SCHEMBL23733409

SCHEMBL23733409

Cc1ccc(C(C)C(C)N2CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRB2 P07550 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CHRNA7 P36544 1/20 0.34

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
SCHEMBL31046804 0.79 CYP2D6 (0.54) HRH3SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL13039134 0.78 CYP2D6 (0.57) SLC6A3TSHRALDH1A1CHRM2CHRM1
SCHEMBL8720323 0.77 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL16270668 0.75 CHRM2 (0.54) HRH3SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL2735673 0.75 CHRM2 (0.54) HRH3SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL2491857 0.72 OPRM1 (0.51) HRH3SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL23334555 0.72 GRIN2B (0.62) SLC6A3SLC6A2SLC6A4TSHRNPSR1
SCHEMBL6546299 0.72 ACHE (0.53) TSHRALDH1A1TDP1LMNAGAA
SCHEMBL9682494 0.68 CYP2D6 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL15797380 0.68 HRH3 (0.59) HRH3SLC6A3SLC6A2SLC6A4TSHR

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 HRH3 2223/4885SLC6A3 1901/4885SLC6A2 3237/4885

“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.