SCHEMBL1318306

SCHEMBL1318306

O=C(Nc1ccccc1)C1CNCCO1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 11/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR3 P32745 1/20 0.46
SSTR5 P35346 1/20 0.46
JAK3 P52333 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL13910696 0.85 ALDH1A1 (0.51) SSTR4RAB9ANPC1LMNAALDH1A1
SCHEMBL14506022 0.84 RAB9A (0.48) RAB9ANPC1TP53POLBHPGD
SCHEMBL2252999 0.84 RAB9A (0.48) RAB9ANPC1TP53POLBHPGD
SCHEMBL2255382 0.84 RAB9A (0.48) RAB9ANPC1TP53POLBHPGD
SCHEMBL25271390 0.81 NAMPT (0.55) RAB9ANPC1LMNAALDH1A1
SCHEMBL13910693 0.81 NPC1 (0.56) RAB9ANPC1TP53POLBHPGD
SCHEMBL28898821 0.80 HPGD (0.49) RAB9ANPC1TP53POLBHPGD
SCHEMBL11203028 0.79 NFKB1 (0.51) HPGDLMNAALDH1A1
SCHEMBL1907650 0.79 SSTR4 (0.46) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL2447399 0.78 MC4R (0.60) SSTR4HPGDSSTR1SSTR2SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619976-B Propylene-alpha-olefin polymers, hot melt adhesive compositions comprising propylene-alpha-olefin polymers, and articles comprising the same H.B. FULLER CO. (US) 2016-05-04 CN disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4435567-A REACTING AN AMINE WITH AN N-CARBAMOYL BENZOIC ACID SULFIMIDE CHINOIN GYOGYSZER ES VESGYESZETI TERMEKEK GYARA R. T. (HU) 1984-03-06 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 SSTR4 2068/4885RAB9A 2582/4885NPC1 2700/4885

“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.