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SCHEMBL6245261

SCHEMBL6245261

CC(C)CCC(c1nc2ccc(CCN)cc2[nH]1)n1c(=O)n(C(C)C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ S1PR4 O95977 5/20 0.37
▸ S1PR1 P21453 5/20 0.37
▸ S1PR5 Q9H228 4/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ NPY5R Q15761 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ AAK1 Q2M2I8 6/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL6502626 0.92 SLC6A2 (0.38) SCN10ASLC6A2TAAR1KLK7POLB
SCHEMBL6262136 0.92 SCN10A (0.40) SCN10AALDH1A1ALOX15SLC6A2S1PR4
SCHEMBL6246020 0.88 ALDH1A1 (0.40) SCN10AALDH1A1ALOX15SLC6A2S1PR4
SCHEMBL6242271 0.88 ALDH1A1 (0.42) SCN10AALDH1A1ALOX15SLC6A2S1PR4
SCHEMBL6491292 0.87 SLC6A2 (0.45) SCN10AALDH1A1ALOX15SLC6A2NPY5R
SCHEMBL6245994 0.86 ALDH1A1 (0.38) SCN10AALDH1A1ALOX15SLC6A2NPY5R
SCHEMBL6244320 0.84 SLC6A2 (0.39) SCN10ASLC6A2TAAR1KLK7POLB
SCHEMBL6494315 0.82 SLC6A2 (0.40) SCN10AALDH1A1SLC6A2TAAR1KLK7
SCHEMBL6504655 0.81 SLC6A2 (0.39) SCN10AALDH1A1ALOX15SLC6A2TAAR1
SCHEMBL6243782 0.80 SLC6A2 (0.39) SCN10AALDH1A1ALOX15SLC6A2TAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 — — US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 — — US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 — — EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 — — EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 — — US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO 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 (2 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 SCN10A 4810/4885ALDH1A1 3132/4885ALOX15 3623/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 SCN10A 3926/4885ALDH1A1 1452/4885ALOX15 335/4885

“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.