SCHEMBL2881954

SCHEMBL2881954

C1=C(c2ccccc2)CC2CCC1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.67
CHRNA4 P43681 3/20 0.67
P2RY14 Q15391 1/20 0.42
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
SIGMAR1 Q99720 1/20 0.34
SLC6A4 P31645 1/20 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
SCHEMBL12093045 1.00 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL18689619 0.98 CHRNB2 (0.65) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7216173 0.89 CHRNB2 (0.68) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL7809874 0.82 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL6214667 0.82 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14SIGMAR1SLC6A4
SCHEMBL6993886 0.82 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL18111494 0.81 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL16158125 0.80 CHRNB2 (0.57) CHRNB2CHRNA4CCNT1CDK9SLC6A4
SCHEMBL12093058 0.80 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL1023489 0.80 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP claimed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO claimed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP disclosed
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US disclosed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO disclosed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed
EP-0649407-A1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES H. LUNDBECK A/S (DK) 1995-04-26 EP disclosed
WO-1993025527-A1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES H. LUNDBECK A/S (DK) 1993-12-23 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CHRNB2 980/4885CHRNA4 1094/4885P2RY14 2961/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 CHRNB2 197/4885CHRNA4 104/4885P2RY14 1624/4885

“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.