SCHEMBL1489870

SCHEMBL1489870

C1CCN(C2CC[N]C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.39
L3MBTL1 Q9Y468 8/20 0.39
MBTD1 Q05BQ5 4/20 0.35
HTR6 P50406 1/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FYN P06241 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1489616 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL1489973 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL667276 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL477164 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL667548 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL1664709 0.93
SCHEMBL2008594 0.88 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL4166916 0.86 HTR6 (0.41) L3MBTL3L3MBTL1MBTD1HTR6
SCHEMBL3933942 0.86 L3MBTL1 (0.39) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL3549709 0.85 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP L3MBTL3 3405/4885L3MBTL1 1947/4885MBTD1 1238/4885

“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.