SCHEMBL5364367

SCHEMBL5364367

Clc1cc2nc(Nc3ccc(C4CCCCC4)cc3)[nH]c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ TMEM97 Q5BJF2 3/20 0.40
▸ ADORA3 P0DMS8 3/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ CAMK2D Q13557 1/20 0.39
▸ CSNK1D P48730 2/20 0.39
▸ CSNK1G2 P78368 2/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ PRCP P42785 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ KCNN1 Q92952 1/20 0.38
▸ KCNN2 Q9H2S1 1/20 0.38
▸ KCNN3 Q9UGI6 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
SCHEMBL29014398 0.77 RIPK1 (0.55) RIPK1POLBCSNK1DCSNK1G2CSNK1A1
SCHEMBL30417005 0.77 RIPK1 (0.55) RIPK1POLBCSNK1DCSNK1G2CSNK1A1
SCHEMBL24549239 0.74 BTK (0.42) RIPK1TMEM97ADORA3SIGMAR1DRD3
SCHEMBL5365311 0.74 KDM4E (0.52) POLBCSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL27203390 0.71 CACNA1G (0.49) RIPK1CAMK2DPRCPKCNN1KCNN2
SCHEMBL29770413 0.71 CACNA1G (0.49) RIPK1CAMK2DPRCPKCNN1KCNN2
SCHEMBL4164559 0.71 KDR (0.63) POLBCSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL5361414 0.71 KDR (0.49) POLBCSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL24549259 0.71 BTK (0.50) RIPK1POLBADORA3CSNK1DCSNK1G2
SCHEMBL7208984 0.69 RIPK1 (0.58) RIPK1CAMK2DPRCPKCNN1KCNN2

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-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 — — US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 — — 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG RIPK1 2783/4885POLB 3335/4885NPY5R 134/4885

“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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