SCHEMBL29342992

SCHEMBL29342992

Ic1n[nH]c2ccc(C3CCCCCCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ GSK3B P49841 2/20 0.43
▸ EPHX2 P34913 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ BACE1 P56817 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35

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
SCHEMBL29347617 1.00 HTR1D (0.45) HTR1DPRMT5WDR77GSK3BEPHX2
SCHEMBL14486911 0.81 JAK2 (0.50) HTR1DPRMT5WDR77GSK3BBACE1
SCHEMBL14486913 0.79 PRMT5 (0.46) HTR1DPRMT5WDR77GSK3BEPHX2
SCHEMBL17913546 0.79 PRMT5 (0.38) PRMT5WDR77LRRK2PRKAB2PRKAG1
SCHEMBL9952358 0.78 CCNC (0.44) GSK3BLRRK2PRKAB2PRKAG1PRKAA2
SCHEMBL23056650 0.74 HTR1D (0.53) HTR1DPRMT5WDR77EPHX2BACE1
SCHEMBL30744737 0.74 HTR1D (0.53) HTR1DPRMT5WDR77EPHX2BACE1
SCHEMBL17982335 0.72 LRRK2 (0.45) HTR1DPRMT5WDR77GSK3BLRRK2
SCHEMBL5510618 0.70 NOS1 (0.44) GAAALDH1A1CYP3A4MAPK1
SCHEMBL16023581 0.70 LRRK2 (0.47) LRRK2

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 HTR1D 3261/4885PRMT5 1544/4885WDR77 2399/4885

“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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