SCHEMBL2866237

SCHEMBL2866237

CCCCCC(c1ccc(C#N)c(C)c1)N1CCN(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.43
▸ LTA4H P09960 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HRH1 P35367 5/20 0.39
▸ ALOX5 P09917 4/20 0.39
▸ SLC6A4 P31645 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
Hydrochloric Acid SCHEMBL5754019 0.99 SLC2A1 (0.44) SLC2A1LTA4HALDH1A1HPGDUSP2
SCHEMBL5751879 0.96 SLC2A1 (0.47) SLC2A1ALDH1A1HPGDUSP2HRH1
SCHEMBL5754108 0.93 LTA4H (0.42) LTA4HHRH1SLC6A4HRH3HRH2
SCHEMBL5749810 0.92 LTA4H (0.42) LTA4HALDH1A1HPGDHRH1SLC6A4
SCHEMBL5754721 0.91 PLA2G7 (0.38) SLC2A1LTA4HALDH1A1HPGDLMNA
SCHEMBL5752522 0.91 LTA4H (0.41) SLC2A1LTA4HALDH1A1HPGDHRH1
SCHEMBL5753115 0.91 LMNA (0.47) LTA4HALDH1A1HPGDHRH1SLC6A4
SCHEMBL5751728 0.91 LTA4H (0.41) LTA4HALDH1A1HPGDHRH1SLC6A4
SCHEMBL5754338 0.91 TDP1 (0.42) SLC2A1LTA4HALDH1A1ALOX5HRH3
SCHEMBL5756296 0.91 LTA4H (0.41) LTA4HALDH1A1HPGDALOX5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 — — EP claimed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 — — US claimed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 — — EP claimed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 — — US claimed
US-6667412-B1 Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity EISAI CO., LTD. (JP) 2003-12-23 — — US claimed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 — — EP claimed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 — — US disclosed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 — — EP disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 — — US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 — — EP disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 — — US disclosed
EP-1167348-A1 NITRILE DERIVATIVES Eisai Co., Ltd. (JP) 2002-01-02 — — EP disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 — — EP disclosed
JP-2000169462-A N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVE EISAI CO LTD 2000-06-20 — — JP 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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C SLC2A1 1226/4885LTA4H 1317/4885ALDH1A1 3427/4885

“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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