SCHEMBL493736

SCHEMBL493736

O=C(C1CCNCC1)N1CCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.69
CHRNA3 P32297 4/20 0.69
CHRNA4 P43681 4/20 0.69
CHRNB3 Q05901 3/20 0.69
CHRNA6 Q15825 3/20 0.69
HPGD P15428 3/20 0.61
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL1284051 0.96 CHRNB2 (0.69) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29670691 0.94 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29670708 0.94 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16373674 0.94 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8236457 0.94 HPGD (0.72) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL6543213 0.94 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3156620 0.94 HPGD (0.72) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL6482072 0.92 HPGD (0.69) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27109069 0.91 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2677991 0.91 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP claimed
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP claimed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO claimed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US claimed
WO-2024259945-A1 NITROGEN-CONTAINING COMPOUNDS HAVING FIVE-MEMBERED RING FUSED WITH SIX-MEMBERED RING, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州圣域生物医药科技有限公司 2024-12-26 WO disclosed
EP-3873599-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-27 EP disclosed
EP-3873600-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-20 EP disclosed
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
US-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-18 US disclosed
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 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 (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-20210353608-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ARSA, SULT1A1, SULT2A1 CHRNB2 3287/4885CHRNA3 2612/4885CHRNA4 2730/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R CHRNB2 809/4885CHRNA3 618/4885CHRNA4 635/4885
US-20070270398-A1 New Compounds III CYP11B2, CYP11B1, SDHA CHRNB2 3858/4885CHRNA3 2389/4885CHRNA4 3747/4885

“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.