SCHEMBL3955640

SCHEMBL3955640

CCN(C=O)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.64
ADH1C P00326 5/20 0.64
ADH4 P08319 1/20 0.44
SLC6A4 P31645 9/20 0.37
SLC6A2 P23975 8/20 0.37
SLC6A3 Q01959 3/20 0.37
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KCNH2 Q12809 2/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL967295 0.84
SCHEMBL3954264 0.84 ADH1A (0.69) ADH1AADH1CADH4SLC6A4SLC6A2
SCHEMBL969252 0.82
SCHEMBL18476366 0.81 ADH1A (0.66) ADH1AADH1CADH4SLC6A4SLC6A2
SCHEMBL967215 0.80 ADH1A (0.95) ADH1AADH1CADH4
SCHEMBL3687398 0.80 ADH1A (0.74) ADH1AADH1CADH4SLC6A4SLC6A2
SCHEMBL966676 0.78 ADH1A (1.00) ADH1AADH1CADH4
SCHEMBL9462480 0.78 ADH1A (1.00) ADH1AADH1CADH4
SCHEMBL9660584 0.78 ADH1A (1.00) ADH1AADH1CADH4
SCHEMBL10948024 0.78 ADH1A (1.00) ADH1AADH1CADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US claimed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US claimed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
EP-3822262-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
US-11091456-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
US-11091456-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
EP-3822262-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2021-05-19 EP disclosed
EP-3822262-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2021-05-19 EP disclosed
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
EP-0667858-B1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1999-08-25 EP disclosed
EP-0897913-A1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ZENECA LIMITED (GB) 1999-02-24 EP disclosed
US-5576333-A ASTHMA TREATMENT ZENECA LIMITED (GB) 1996-11-19 US disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 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 (5 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-11091456-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 ADH1A 846/4885ADH1C 777/4885ADH4 1638/4885
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ADH1A 132/4885ADH1C 427/4885ADH4 998/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 ADH1A 1644/4885ADH1C 1694/4885ADH4 3839/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 ADH1A 95/4885ADH1C 280/4885ADH4 1385/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ADH1A 2447/4885ADH1C 2162/4885ADH4 3426/4885

“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.