Sugi Predict

Sugi Predict / Compounds / SCHEMBL736403

SCHEMBL736403

SCHEMBL736403

[CH2]CCN(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ ADH1A P07327 4/20 0.38
▸ ADH1C P00326 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ FAAH O00519 1/20 0.34
▸ PHGDH O43175 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 2/20 0.33

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
SCHEMBL11292771 1.00 HRH3 (0.42) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL735581 0.98 HRH3 (0.39) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL736322 0.95 — —
SCHEMBL735482 0.87 — —
SCHEMBL735849 0.86 HRH3 (0.40) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL738707 0.84 HRH4 (0.37) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL736390 0.81 HRH4 (0.34) HRH3HRH4KDM4E
SCHEMBL737170 0.80 HRH3 (0.45) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL11296512 0.80 HRH3 (0.45) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL5253027 0.78 ADH1A (0.52) HRH3HRH4ADH1AADH1CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 — — EP claimed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 — — US claimed
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 — — US claimed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 — — US claimed
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 — — EP claimed
CN-101233115-A Indole and benzimidazole derivatives NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-07-30 — — CN claimed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 — — EP claimed
CN-1956960-A Substituted quinoline derivatives as mitotic kinesin inhibitors CHIRON CORP (US) 2007-05-02 — — CN claimed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 — — WO claimed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 — — US claimed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 — — US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 — — WO claimed
US-4656256-A Benzoazoresorcinol dyes containing a quaternized aminoalkylene oxycarbonyl group BASF AKTIENGESELLSCHAFT (DE) 1987-04-07 — — US claimed
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 — — EP disclosed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 — — EP disclosed
CN-111788207-B Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-03-23 — — CN disclosed
EP-0159549-A1 Basic azo dyes BASF Aktiengesellschaft (DE) 1985-10-30 — — EP disclosed
EP-0061624-B1 CATIONIC DYES AND THEIR USE BASF Aktiengesellschaft (DE) 1985-02-20 — — EP disclosed
EP-0061624-A1 Cationic dyes and their use BASF Aktiengesellschaft (DE) 1982-10-06 — — EP disclosed
EP-0061623-A1 Process for dyeing or printing paper, and cationic phthalocyanine dyes BASF Aktiengesellschaft (DE) 1982-10-06 — — EP 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 (3 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-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES ABCG2, ABCB1, UGT2B7 HRH3 677/4885HRH4 466/4885ADH1A 1397/4885
US-20060084687-A1 Indole and benzimidazole derivatives IDO1, IDO2, AADAC HRH3 932/4885HRH4 507/4885ADH1A 718/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC HRH3 932/4885HRH4 507/4885ADH1A 718/4885

“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.