Benzoclidine

Benzoclidine

SCHEMBL1542330

O=C(O[C@@H]1CN2CCC1CC2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.74
TSHR P16473 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
CYP2D6 P10635 1/20 0.68
CHRNA7 P36544 3/20 0.65
BCHE P06276 1/20 0.65
ACHE P22303 1/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CHRM3 P20309 6/20 0.63
CHRM2 P08172 5/20 0.63
CHRM1 P11229 5/20 0.63
CHRM4 P08173 1/20 0.62
CHRM5 P08912 1/20 0.62
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
CHRNB2 P17787 1/20 0.60
CHRNA4 P43681 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60

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
Benzoclidine SCHEMBL342347 1.00 GLA (0.74) GLATSHRRXFP1CYP2D6CHRNA7
Benzoclidine SCHEMBL1542430 1.00 GLA (0.74) GLATSHRRXFP1CYP2D6CHRNA7
SCHEMBL1234895 0.85 CYP2D6 (0.65) TSHRRXFP1CYP2D6CHRNA7BCHE
SCHEMBL1234896 0.85 CYP2D6 (0.65) TSHRRXFP1CYP2D6CHRNA7BCHE
Bicarbonate SCHEMBL1721399 0.83 GLA (0.67) GLATSHRRXFP1CYP2D6CHRNA7
Bicarbonate SCHEMBL1720584 0.83 GLA (0.67) GLATSHRRXFP1CYP2D6CHRNA7
SCHEMBL7824053 0.82 CYP2D6 (0.62) TSHRRXFP1CYP2D6CHRNA7BCHE
SCHEMBL7824049 0.82 CYP2D6 (0.62) TSHRRXFP1CYP2D6CHRNA7BCHE
SCHEMBL11896515 0.82 GLA (0.58) GLATSHRRXFP1CYP2D6CHRNA7
SCHEMBL8935124 0.81 CHRNA7 (0.60) GLATSHRRXFP1CHRNA7BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015087291-A1 3-CARBOXY-4-(R)-PHENYLPYRROLYDINE-2-ONE SALT AND ITS USE JSC OLAINFARM (LV) 2015-06-18 WO disclosed
WO-2015087291-A1 3-CARBOXY-4-(R)-PHENYLPYRROLYDINE-2-ONE SALT AND ITS USE JSC OLAINFARM (LV) 2015-06-18 WO disclosed
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP disclosed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 US disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
EP-1896469-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-03-12 EP disclosed
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
EP-1824848-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
EP-1699785-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-09-13 EP disclosed
WO-2006065233-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-06-22 WO disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 US disclosed
WO-2005066166-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US disclosed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 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 (9 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 GLA 2031/4885TSHR 491/4885RXFP1 247/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C GLA 3726/4885TSHR 1515/4885RXFP1 1665/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 GLA 2103/4885TSHR 1698/4885RXFP1 486/4885
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA1, CHRNA2, CHRM2 GLA 2342/4885TSHR 724/4885RXFP1 136/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 GLA 2031/4885TSHR 491/4885RXFP1 247/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 GLA 1782/4885TSHR 464/4885RXFP1 241/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 GLA 1992/4885TSHR 435/4885RXFP1 262/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 GLA 2168/4885TSHR 1590/4885RXFP1 359/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 GLA 908/4885TSHR 2057/4885RXFP1 2686/4885

“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.