SCHEMBL5698946

SCHEMBL5698946

c1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.82
DRD4 P21917 7/20 0.82
HTR2A P28223 7/20 0.82
HTR1A P08908 5/20 0.82
DRD3 P35462 2/20 0.82
ADRA2A P08913 1/20 0.82
ADRA2B P18089 1/20 0.82
ADRA2C P18825 1/20 0.82
DRD1 P21728 1/20 0.82
ADRA1D P25100 1/20 0.82
ADRA1A P35348 1/20 0.82
ADRA1B P35368 1/20 0.82
HTR2B P41595 1/20 0.82
HTR1D P28221 8/20 0.77
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74
CA5A P35218 1/20 0.74

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
Hydrochloric Acid SCHEMBL7402186 0.99 DRD2 (0.80) DRD2DRD4HTR2AHTR1ADRD3
SCHEMBL7398463 0.90 DRD2 (0.79) DRD2DRD4HTR2AHTR1ADRD3
SCHEMBL5698997 0.90 DRD2 (1.00) DRD2DRD4HTR2AHTR1ADRD3
SCHEMBL7403359 0.90 DRD2 (0.79) DRD2DRD4HTR2AHTR1ADRD3
SCHEMBL7400484 0.90 DRD2 (0.79) DRD2DRD4HTR2AHTR1ADRD3
SCHEMBL7403565 0.90 DRD2 (0.76) DRD2DRD4HTR2AHTR1ADRD3
Hydrochloric Acid SCHEMBL29366062 0.89 DRD2 (0.98) DRD2DRD4HTR2AHTR1ADRD3
Hydrochloric Acid SCHEMBL8179547 0.89 DRD2 (0.74) DRD2DRD4HTR2AHTR1ADRD3
Hydrochloric Acid SCHEMBL8170055 0.89 DRD2 (0.98) DRD2DRD4HTR2AHTR1ADRD3
Hydrochloric Acid SCHEMBL7404598 0.89 DRD2 (0.78) DRD2DRD4HTR2AHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363634-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP claimed
US-20030078273-A1 Compounds for the treatment of addictive disorders ANDERSON RICHARD W (US) 2003-04-24 US claimed
US-20020049206-A1 Compounds for the treatment of addictive disorders PHARMACIA & UPJOHN (A DELAWARE CORPORATION) 2002-04-25 US claimed
WO-2002013807-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2002-02-21 WO claimed
EP-0737189-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS UPJOHN CO (US) 1999-07-28 EP claimed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP claimed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO claimed
EP-1685838-A1 Compounds for the treatment of addictive disorders Pharmacia & Upjohn Company LLC (US) 2006-08-02 EP disclosed
US-6841557-B2 Compounds for the treatment of addictive disorders PHARMACIA & UPJOHN (US) 2005-01-11 US disclosed
EP-1363634-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP disclosed
US-20030078273-A1 Compounds for the treatment of addictive disorders ANDERSON RICHARD W (US) 2003-04-24 US disclosed
US-20020049206-A1 Compounds for the treatment of addictive disorders PHARMACIA & UPJOHN (A DELAWARE CORPORATION) 2002-04-25 US disclosed
WO-2002013807-A2 COMPOUNDS FOR THE TREATMENT OF ADDICTIVE DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2002-02-21 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-20020049206-A1 Compounds for the treatment of addictive disorders OPRK1, SLC6A3, TACR2 DRD2 11/4885DRD4 76/4885HTR2A 128/4885
US-20030078273-A1 Compounds for the treatment of addictive disorders OPRK1, SLC6A3, TACR2 DRD2 11/4885DRD4 76/4885HTR2A 128/4885

“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.