SCHEMBL7368435

SCHEMBL7368435

O=C(c1ccccc1)C1CCN(CCCCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.83
KDM4E B2RXH2 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP3A4 P08684 1/20 0.83
CYP2D6 P10635 1/20 0.83
KCNH2 Q12809 2/20 0.77
SIGMAR1 Q99720 3/20 0.63
CCR3 P51677 1/20 0.59

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 SCHEMBL9650868 0.94 HTR2A (0.82) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4211202 0.91 HTR2A (1.00) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9375390 0.90 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9373922 0.90 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7839803 0.90 HTR2A (1.00) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9374754 0.89 HTR2A (0.95) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL467239 0.89 HTR2A (0.95) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7828801 0.89 HTR2A (0.97) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7252912 0.88 HTR2A (0.77) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10064464 0.85 KCNH2 (0.81) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 EP claimed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 EP claimed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 WO claimed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
EP-1879027-A1 AGENT FOR PREVENTING AND TREATING PANCREATITIS UMN Pharma Inc. (JP) 2008-01-16 EP 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 (1 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-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS HTR2A, HTR2B, HTR2C HTR2A 1/4885KDM4E 4086/4885CYP1A2 1424/4885

“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.