Sugi Predict

Sugi Predict / Compounds / SCHEMBL1736748

SCHEMBL1736748

SCHEMBL1736748

Clc1cnc(N2CCNCC2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.53
▸ CHRNA4 P43681 5/20 0.53
▸ HRH4 Q9H3N8 4/20 0.50
▸ ADRB2 P07550 1/20 0.49
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47

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
SCHEMBL5466686 0.84 CHRNB2 (0.51) CHRNB2CHRNA4HRH4ADRB2CHRNA1
SCHEMBL899662 0.83 CHRNB2 (0.50) CHRNB2CHRNA4HRH4ADRB2CHRNA1
SCHEMBL2544335 0.83 CHRNB2 (0.54) CHRNB2CHRNA4ADRB2
SCHEMBL902974 0.83 CHRNB2 (0.54) CHRNB2CHRNA4HRH4CHRNA1CHRNA7
SCHEMBL898877 0.83 CHRNB2 (0.50) CHRNB2CHRNA4HRH4ADRB2
SCHEMBL24970963 0.83 CHRNB2 (0.46) CHRNB2CHRNA4ADRB2CHRM2CHRM4
Hydrochloric Acid SCHEMBL30903327 0.81 CHRNB2 (0.53) CHRNB2CHRNA4ADRB2
Hydrochloric Acid SCHEMBL30903348 0.81 CHRNB2 (0.49) CHRNB2CHRNA4HRH4ADRB2
SCHEMBL232021 0.80 ALDH1A1 (0.44) CHRNB2CHRNA4ADRB2
SCHEMBL3124340 0.80 PHGDH (0.43) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US claimed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 — — EP claimed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 — — CN claimed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — WO claimed
US-12604895-B2 Pesticidally active cyclic amine compounds SYNGENTA CROP PROTECTION AG (CH) 2026-04-21 — — US disclosed
CN-115210218-B Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2025-05-16 — — CN disclosed
CN-114401963-B Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2025-03-14 — — CN disclosed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US disclosed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 — — EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 — — CN disclosed
US-20230146180-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 — — US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — WO disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 — — WO disclosed
US-20030109516-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof PFIZER INC. 2003-06-12 — — US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — EP disclosed
US-6521630-B1 Serotonin reuptake inhibitors; treatment of diseases, conditions or disorders of the central nervous system PFIZER INC. 2003-02-18 — — US disclosed
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 — — EP disclosed
EP-1083178-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof Pfizer Products Inc. (US) 2001-03-14 — — EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 — — WO disclosed
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 — — 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 (4 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B CHRNB2 4203/4885CHRNA4 4574/4885HRH4 3643/4885
US-20030109516-A1 Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof HTR2C, HTR1F, HTR3C CHRNB2 63/4885CHRNA4 60/4885HRH4 53/4885
US-20230146180-A1 PESTICIDALLY ACTIVE CYCLIC AMINE COMPOUNDS DDT, ACHE, PNMT CHRNB2 242/4885CHRNA4 221/4885HRH4 811/4885
US-12604895-B2 Pesticidally active cyclic amine compounds CLIC1, TUBA3C, CYCS CHRNB2 328/4885CHRNA4 358/4885HRH4 775/4885

“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.