SCHEMBL25760664

SCHEMBL25760664

C=C(CN1CCC(c2ccccc2)C1)NC(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ PRCP P42785 3/20 0.47
▸ SLC18A3 Q16572 3/20 0.47
▸ DRD2 P14416 3/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL24450334 0.84 HTT (0.73) HTTPRCPDRD2DRD4DRD3
SCHEMBL25760663 0.76 NPC1 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL25760660 0.74 NPC1 (0.41) HTTPRCPDRD2DRD1DRD4
SCHEMBL24112340 0.73 DRD2 (0.55) HTTPRCPSLC18A3DRD2DRD4
SCHEMBL20005705 0.73 RAB9A (0.60) HTTALDH1A1GAAKMT2A
SCHEMBL17788490 0.73 CARM1 (0.60) PRCPSLC18A3DRD2DRD1DRD4
SCHEMBL12209849 0.73 ALDH1A1 (0.60) HTTSLC18A3DRD2ALDH1A1LMNA
SCHEMBL23374659 0.73 SLC18A3 (0.56) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL12447397 0.73 SLC18A3 (0.56) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL12768109 0.73 SLC18A3 (0.56) SLC18A3DRD2DRD1DRD4DRD5

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HTT 2737/4885PRCP 11/4885SLC18A3 4385/4885

“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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