Sugi Predict

Sugi Predict / Compounds / SCHEMBL3373891

SCHEMBL3373891

SCHEMBL3373891

Nc1ccc2c(n1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 5/20 0.52
▸ ADRA2B P18089 5/20 0.52
▸ ADRA2C P18825 5/20 0.52
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ NOS3 P29474 3/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS2 P35228 3/20 0.44
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ACHE P22303 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL29522031 1.00 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL27880699 0.98 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL23571210 0.98 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3162510 0.95 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31587209 0.95 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL30484407 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL2301675 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL2080131 0.77 HTR2C (0.41) HTR2AHTR2CDRD2DRD3
SCHEMBL4593992 0.77 PNMT (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL29648993 0.76 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730113-B1 PROCESS FOR THE SYNTHESIS OF A CXCR4 ANTAGONIST GENZYME CORP (US) 2016-12-28 — — EP claimed
CN-103827105-A Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors REDDYS LAB LTD DR 2014-05-28 — — CN claimed
CN-1930127-B Process for the synthesis of cxcr4 antagonist ANORMED INC 2012-11-21 — — CN claimed
US-7332605-B2 Process for the synthesis of CXCR4 antagonist ANORMED, INC. (CA) 2008-02-19 — — US claimed
EP-1730113-A1 PROCESS FOR THE SYNTHESIS OF A CXCR4 ANTAGONIST ANORMED INC. (CA) 2006-12-13 — — EP claimed
WO-2005090308-A1 PROCESS FOR THE SYNTHESIS OF A CXCR4 ANTAGONIST ANORMED, INC. (CA) 2005-09-29 — — WO claimed
US-20050209277-A1 Process for the synthesis of CXCR4 antagonist ANORMED CORPORATION (CA) 2005-09-22 — — US claimed
WO-2024220556-A2 HETEROCYCLIC SUMO1 SMALL MOLECULE DEGRADERS AND USE THEREOF HB THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
CN-114014824-B Application of heterocyclic compound 上海科技大学 2023-06-13 — — CN disclosed
EP-2948147-B1 N-SUBSTITUTED-5-SUBSTITUTED PHTHALAMIC ACIDS AS SORTILIN INHIBITORS H LUNDBECK AS (DK) 2019-03-13 — — EP disclosed
US-10195186-B2 N-substituted-5-substituted phthalamic acids as sortilin inhibitors H. LUNDBECK A/S (DK) 2019-02-05 — — US disclosed
CN-104955456-B N-substituted-5-substituted anthranilic acids as sortilin inhibitors H.隆德贝克有限公司 2018-07-03 — — CN disclosed
WO-2018045957-A1 CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-03-15 — — WO disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 — — WO disclosed
EP-0489379-B1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-07-15 — — EP disclosed
US-5310914-A Imination, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-05-10 — — US disclosed
US-5216164-A Used for relieving memory dysfunction such as Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-01 — — US disclosed
EP-0489379-A1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-10 — — EP disclosed
US-5110815-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-05 — — US disclosed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 — — 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-20050209277-A1 Process for the synthesis of CXCR4 antagonist CXCR4, CXCR1, CXCL12 ADRA2A 386/4885ADRA2B 330/4885ADRA2C 437/4885
US-10195186-B2 N-substituted-5-substituted phthalamic acids as sortilin inhibitors SORT1, NRP1, SELPLG ADRA2A 2487/4885ADRA2B 1992/4885ADRA2C 2651/4885

“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.