SCHEMBL20892189

SCHEMBL20892189

CC(C)c1ccc2c(c1)CCNCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.52
HTR2B P41595 4/20 0.52
HTR2A P28223 1/20 0.52
HTR6 P50406 1/20 0.47
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PNMT P11086 3/20 0.40
ADRA2A P08913 2/20 0.40

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
SCHEMBL20883900 0.91 HTR2C (0.44) HTR2CHTR2BHTR2AHTR6ADCY6
SCHEMBL7921103 0.89 PNMT (0.55) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL4565700 0.89 ASIC3 (0.55) DRD2PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1265678 0.87 ASIC3 (0.53) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL12608371 0.85 ADCY6 (0.50) HTR2CHTR2BHTR2AHTR6ADCY6
SCHEMBL9859659 0.81 KMT2A (0.46)
SCHEMBL18386322 0.81 KMT2A (0.43)
SCHEMBL16443803 0.80 HTR2C (0.44) HTR2CHTR2BHTR2AHTR6ADCY6
SCHEMBL20883583 0.78 PNMT (0.43) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL19185632 0.78 ASIC3 (0.43) HTR2AHTR6DRD2CHRNB2CHRNA4

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
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR2C 2918/4885HTR2B 3688/4885HTR2A 4047/4885

“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.