SCHEMBL17656378

SCHEMBL17656378

Cc1ccc2c(c1)CC(C(C)(C)C)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.36
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ACHE P22303 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
EPHX2 P34913 1/20 0.31
KIF11 P52732 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
AADAT Q8N5Z0 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL28274323 0.84 PNMT (0.39) HTR5AGAAMGAMSIMGAM2
SCHEMBL26262454 0.81 HTR5A (0.36) HTR5AACHEKIF11
SCHEMBL24854077 0.81 HRH3 (0.37) KIF11
SCHEMBL22417606 0.76 GAA (0.46) GAAEPHX2BRD4CREBBP
SCHEMBL30101714 0.76 GAA (0.47) HTR5AGAAMGAMSIMGAM2
SCHEMBL7922397 0.76 GAA (0.47) HTR5AGAAMGAMSIMGAM2
SCHEMBL26262448 0.76 GAA (0.46) GAAEPHX2BRD4CREBBP
SCHEMBL6966089 0.74 PNMT (0.50) GAA
SCHEMBL13072342 0.74 AR (0.40) GAABRD4CREBBP
SCHEMBL23788032 0.74 HTR5A (0.38) HTR5AGAAMGAMSIMGAM2

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
EP-2674428-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-04-06 EP 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF HTR5A 3973/4885GAA 2197/4885MGAM 3205/4885

“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.