SCHEMBL27203390

SCHEMBL27203390

Clc1cc2nc(NCC3CCCCC3)[nH]c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.49
▸ CACNA1H O95180 1/20 0.49
▸ RIPK1 Q13546 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PRSS12 P56730 1/20 0.43
▸ CAMK2D Q13557 1/20 0.39
▸ TXN P10599 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ KCNN1 Q92952 1/20 0.39
▸ KCNN2 Q9H2S1 1/20 0.39
▸ KCNN3 Q9UGI6 1/20 0.39
▸ PRCP P42785 2/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL29770413 1.00 CACNA1G (0.49) CACNA1GCACNA1HRIPK1GAAHTT
SCHEMBL13804780 0.88 CACNA1H (0.51) CACNA1GCACNA1HGAAHTTPRKAG1
SCHEMBL5242659 0.75 NPSR1 (0.51) RAB9AEGLN1MEN1KMT2A
SCHEMBL13141653 0.75 NPC1 (0.56) CACNA1GCACNA1HPRSS12RAB9AMEN1
SCHEMBL27241025 0.74 GAA (0.57) CACNA1GCACNA1HGAAHTTPRKAG1
SCHEMBL7208984 0.73 RIPK1 (0.58) CACNA1GCACNA1HRIPK1GAAHTT
SCHEMBL1440520 0.71 GAA (0.55) GAAPRSS12
SCHEMBL3699142 0.71 CYP1A2 (0.43) RIPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29770407 0.71 RAF1 (0.48) RIPK1PRSS12CYP1A2RAB9AMEN1
SCHEMBL5364367 0.71 RIPK1 (0.44) RIPK1CAMK2DKCNN1KCNN2KCNN3

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-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-04-25 — — 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-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF CUTA, DCXR, PLOD3 CACNA1G 4475/4885CACNA1H 4365/4885RIPK1 2558/4885

“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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