SCHEMBL7374609

SCHEMBL7374609

c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 1.00
CCR3 P51677 2/20 1.00
HRH3 Q9Y5N1 1/20 0.78
KCNH2 Q12809 1/20 0.73
MEN1 O00255 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
PRMT3 O60678 1/20 0.67
CARM1 Q86X55 1/20 0.67
PRMT6 Q96LA8 1/20 0.67
PRMT1 Q99873 1/20 0.67
PRMT8 Q9NR22 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67

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 SCHEMBL7407431 0.98 SIGMAR1 (0.97) SIGMAR1CCR3HRH3KCNH2MEN1
SCHEMBL8091672 0.98 SIGMAR1 (0.97) SIGMAR1CCR3HRH3KCNH2MEN1
SCHEMBL7409408 0.95 SIGMAR1 (0.91) SIGMAR1CCR3HRH3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL7404260 0.94 SIGMAR1 (0.88) SIGMAR1CCR3HRH3KCNH2SLC6A2
SCHEMBL7372248 0.92 CCR3 (0.84) SIGMAR1CCR3HRH3KCNH2CYP1A2
SCHEMBL7403790 0.88 CCR3 (1.00) SIGMAR1CCR3HRH3SLC6A4PRMT3
SCHEMBL20306196 0.88 SIGMAR1 (0.78) SIGMAR1CCR3HRH3KCNH2
SCHEMBL7404650 0.87 CCR3 (0.76) SIGMAR1CCR3HRH3
Hydrochloric Acid SCHEMBL7404097 0.87 CCR3 (0.97) SIGMAR1CCR3HRH3SLC6A4PRMT3
SCHEMBL5888786 0.86 SIGMAR1 (0.75) SIGMAR1CCR3HRH3KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
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-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (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 SIGMAR1 314/4885CCR3 1286/4885HRH3 213/4885

“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.