SCHEMBL21282546

SCHEMBL21282546

CC(C)(C)CC1CNc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.39
▸ BCHE P06276 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PAX8 Q06710 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL20505796 0.86 CCKBR (0.38) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL23758472 0.85 CCKBR (0.37) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL13142140 0.83 CCKBR (0.36) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL20329573 0.83 BCHE (0.47) CCKBRBCHE
SCHEMBL24202026 0.82 CCKBR (0.38) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL16684897 0.82 CCKBR (0.39) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL12013752 0.79 CCKBR (0.42) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL1118519 0.79 CCKBR (0.42) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL12141050 0.79 CCKBR (0.42) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL8261364 0.76 HTR5A (0.41) CCKBRBCHEHRH2OPRM1HTR2B

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-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen BRITISH COLUMBIA CANCER AGENCY BRANCH 2021-01-05 — — US disclosed
US-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ARMY MEDICAL UNIVERSITY (CN) 2019-08-22 — — 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 (2 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-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF LDLR, NR1H2, TNF CCKBR 1737/4885BCHE 2598/4885HRH2 2487/4885
US-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen KLK3, FOLH1, FOLR1 CCKBR 585/4885BCHE 2283/4885HRH2 2658/4885

“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.

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