SCHEMBL4094243

SCHEMBL4094243

CCOC(=O)C1CCN(C)CC1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.59
▸ SLC6A2 P23975 2/20 0.59
▸ SLC6A4 P31645 2/20 0.59
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ SLC18A2 Q05940 1/20 0.49

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
SCHEMBL6829116 0.90 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4SLC18A2
SCHEMBL10262984 0.88 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL4757346 0.88 MAPT (0.46) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL5006473 0.85 ALDH1A1 (0.45) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL14611180 0.84 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL14065593 0.83 MAPT (0.54) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL14376312 0.83 MAPT (0.54) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL14065598 0.83 MAPT (0.54) SLC6A3SLC6A2SLC6A4MAPTPKM
SCHEMBL1969776 0.82 SLC6A4 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL8498107 0.82 SLC6A2 (0.61) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119525-A1 METHOD FOR EXTENDING LONGEVITY USING NPC1L1 ANTAGONISTS MOUNT SINAI SCHOOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-05-13 — — US disclosed
US-20100119525-A1 METHOD FOR EXTENDING LONGEVITY USING NPC1L1 ANTAGONISTS MOUNT SINAI SCHOOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-05-13 — — US disclosed
US-20090186874-A1 Carboxamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 — — US disclosed
US-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-02-05 — — US disclosed
US-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-02-05 — — US disclosed
EP-1789437-A4 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF SINAI SCHOOL MEDICINE (US) 2008-11-05 — — EP disclosed
EP-1789437-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF Mount Sinai School of Medicine of New York University (US) 2007-05-30 — — EP disclosed
EP-1705176-A1 CARBOXAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-09-27 — — EP disclosed
WO-2006015365-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2006-02-09 — — 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 (3 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-20090035784-A1 NPC1L1 AND NPC1L1 INHIBITORS AND METHODS OF USE THEREOF NPC1L1, NPC1, SREBF2 SLC6A3 1464/4885SLC6A2 813/4885SLC6A4 1745/4885
US-20090186874-A1 Carboxamide derivative and use thereof NTSR2, NTSR1, CNR2 SLC6A3 814/4885SLC6A2 515/4885SLC6A4 578/4885
US-20100119525-A1 METHOD FOR EXTENDING LONGEVITY USING NPC1L1 ANTAGONISTS NPC1L1, LIPA, LPL SLC6A3 3538/4885SLC6A2 1809/4885SLC6A4 3502/4885

“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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