SCHEMBL5099415

SCHEMBL5099415

NCCNCCCc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.42
ACKR3 P25106 2/20 0.41
HTR2B P41595 2/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HPGD P15428 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL5105828 0.83 MPO (0.41) SIGMAR1DRD2DRD4DRD3
SCHEMBL5099405 0.83 ACLY (0.46) ACLYACKR3HTR2BFFAR1FFAR4
SCHEMBL5099497 0.82 MAOB (0.42) HPGD
SCHEMBL5099931 0.82 DPP4 (0.53) SIGMAR1HDAC8PDCD1CD274
SCHEMBL5099392 0.82 SIGMAR1 (0.47) SIGMAR1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL5093301 0.81 CNR1 (0.43)
SCHEMBL5099470 0.80 TACR1 (0.41) SIGMAR1PTGDR2
SCHEMBL5106327 0.78 PTGDR2 (0.43) DRD2DRD4DRD3PTGDR2HPGD
SCHEMBL5093218 0.77 SIGMAR1 (0.42) HTR2BSIGMAR1DRD2DRD4DRD3
SCHEMBL5096896 0.74 SIGMAR1 (0.55) HTR2BSIGMAR1

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-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK ACLY 1663/4885ACKR3 1757/4885HTR2B 4215/4885

“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.