Sugi Predict

Sugi Predict / Compounds / SCHEMBL3663893

SCHEMBL3663893

SCHEMBL3663893

O=C(O)N1CCNc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 6/20 0.56
▸ HSD17B3 P37058 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ GPBAR1 Q8TDU6 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AVPR2 P30518 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GPR6 P46095 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ BRPF1 P55201 1/20 0.39

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
SCHEMBL29941296 1.00 AVPR1A (0.56) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL3972182 0.90 AVPR1A (0.50) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL26088243 0.85 HTT (0.57) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL30379071 0.85 HTT (0.57) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL28092526 0.85 AVPR1A (0.47) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL9956072 0.84 AVPR1A (0.55) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL3115822 0.84 HSD17B3 (0.60) AVPR1AHSD17B3HSD11B1GPBAR1GAA
SCHEMBL30673672 0.84 AVPR1A (0.55) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1
SCHEMBL30529514 0.84 HSD17B3 (0.60) AVPR1AHSD17B3HSD11B1GPBAR1GAA
SCHEMBL2331511 0.84 AVPR1A (0.55) AVPR1AHSD17B3HSD11B1GPBAR1ALDH1A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029076-B Benzo piperazine composition as BET bromine domain inhibitor 福马疗法公司 2019-06-07 — — CN claimed
CN-106029076-A Benzopiperazine compositions as BET bromodomain inhibitors 福马疗法公司 2016-10-12 — — CN claimed
CN-104903290-A Novel compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient AHN GOOK PHARMACEUTICAL CO LTD 2015-09-09 — — CN claimed
CN-118119612-A Novel compounds and pharmaceutical compositions comprising the same 萨皮恩斯生物有限公司 2024-05-31 — — CN disclosed
WO-2023239227-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 사피엔스바이오 2023-12-14 — — WO disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 — — WO disclosed
WO-2023068755-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 사피엔스바이오 2023-04-27 — — WO disclosed
CN-112794844-B Ester compound, preparation method and application thereof, and ester soft medicine 中国科学院上海药物研究所 2023-03-21 — — CN disclosed
CN-112794844-A Ester compound, preparation method and application thereof, and ester soft medicine 中国科学院上海药物研究所 2021-05-14 — — CN disclosed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 — — CN disclosed
CN-106029076-B Benzo piperazine composition as BET bromine domain inhibitor 福马疗法公司 2019-06-07 — — CN disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 — — US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 — — US disclosed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 — — CN disclosed
CN-101878208-A Quinoxaline-type-piperidine compounds that replaces and uses thereof PURDUE PHARMA LP 2010-11-03 — — CN disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 — — EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 — — WO disclosed
CN-1795177-A 1, 2, 4-substituted 1, 2, 3, 4-tetrahydro-and 1, 2 dihydro-quinolines and 1, 2, 3, 4-tetrahydro-quinoxaline derivatives as CETP inhibitors for the treatment of atherosclerosis and obesity PFIZER PROD INC (US) 2006-06-28 — — CN disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 AVPR1A 590/4885HSD17B3 1279/4885HSD11B1 1172/4885
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 AVPR1A 996/4885HSD17B3 1748/4885HSD11B1 1963/4885

“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.