SCHEMBL7677886

SCHEMBL7677886

O=C(CCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.84
▸ KMT2A Q03164 3/20 0.84
▸ GFER P55789 1/20 0.79
▸ MTNR1A P48039 2/20 0.78
▸ AANAT Q16613 1/20 0.77
▸ MAPT P10636 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ PKM P14618 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ GAA P10253 1/20 0.72
▸ MMP9 P14780 1/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68

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
SCHEMBL7849865 0.93 MEN1 (0.74) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9117842 0.92 MEN1 (0.76) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7852879 0.92 GFER (0.84) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7973988 0.92 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL19051489 0.92 MEN1 (0.80) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL761481 0.92 MTNR1A (0.88) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7851164 0.91 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303912 0.91 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303476 0.91 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9302879 0.91 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309606-B2 Compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2012-11-13 — — US disclosed
US-8309606-B2 Compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2012-11-13 — — US disclosed
US-8252843-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2012-08-28 — — US disclosed
US-8252843-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2012-08-28 — — US disclosed
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES NOVAREMED LIMITED (IL) 2010-12-30 — — US disclosed
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES NOVAREMED LIMITED (IL) 2010-12-30 — — US disclosed
US-7754771-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-07-13 — — US disclosed
US-7754771-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-07-13 — — US disclosed
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2010-03-18 — — US disclosed
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2010-03-18 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 — — 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-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection TSLP, HLA-DRB1, MRGPRX2 MEN1 3418/4885KMT2A 3181/4885GFER 1943/4885
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES CCR4, CD4, CCR5 MEN1 2032/4885KMT2A 1683/4885GFER 2306/4885

“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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