SCHEMBL25760130

SCHEMBL25760130

CC(C)C1CC(c2ccccc2)CN1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 1/20 0.38
BRD4 O60885 3/20 0.38
KDM1A O60341 1/20 0.37
SRD5A1 P18405 1/20 0.36
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 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
SCHEMBL24019781 0.79 CCR5 (0.38) HRH3KCNH2PIK3CDBRD4KDM1A
SCHEMBL24754648 0.76 OPRK1 (0.39) OPRM1OPRL1
SCHEMBL13006619 0.74 HRH3 (0.40) HRH3KCNH2BRD4DRD2DRD1
SCHEMBL2706043 0.74 POLB (0.38)
SCHEMBL14558066 0.73 HRH3 (0.45) HRH3KCNH2BRD4
SCHEMBL14591923 0.72 ACE (0.39) PIK3CDKDM1A
SCHEMBL14591895 0.72 SLC6A2 (0.47) HRH3PIK3CD
SCHEMBL13647226 0.71 HRH3 (0.46) HRH3KCNH2BRD4KDM1ADRD3
SCHEMBL14591908 0.70 TSHR (0.41) KCNH2PIK3CD
SCHEMBL12030746 0.70 HRH3 (0.50) HRH3KCNH2BRD4KDM1ASRD5A1

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HRH3 3493/4885KCNH2 4312/4885PIK3CD 3222/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH3 3510/4885KCNH2 4169/4885PIK3CD 3362/4885

“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.