SCHEMBL7947228

SCHEMBL7947228

CN(C)CCc1nc(-c2ccccc2)no1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.73
▸ HRH3 Q9Y5N1 1/20 0.73
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 7/20 0.64
▸ L3MBTL1 Q9Y468 6/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ NOTUM Q6P988 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MAPK1 P28482 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ S1PR1 P21453 1/20 0.51

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
SCHEMBL7961634 0.91 HTR1A (0.65) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL7961648 0.89 HTR1A (0.63) HTR1AHRH3RAB9ANPC1L3MBTL1
Oxolamine SCHEMBL893333 0.84 HTR1A (1.00) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL7954885 0.83 NPC1 (0.63) HTR1AHRH3RAB9ANPC1L3MBTL1
Oxolamine SCHEMBL1652318 0.83 HTR1A (0.97) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL14288613 0.81 RAB9A (0.70) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL11623649 0.81 TSHR (0.54) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL7947527 0.81 RAB9A (0.57) HTR1AHRH3RAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL11624188 0.80 TSHR (0.53) HTR1AHRH3RAB9ANPC1L3MBTL1
SCHEMBL15504863 0.78 RAB9A (0.70) HTR1AHRH3RAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — US disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 — — 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT HTR1A 35/4885HRH3 460/4885RAB9A 1583/4885

“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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