SCHEMBL7474356

SCHEMBL7474356

COc1ccccc1N1CCN(CC(C)N(C(=O)C2CCCCC2)c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ADRA1A P35348 4/20 0.70
DRD4 P21917 3/20 0.70
ADRA1D P25100 3/20 0.70
ADRA1B P35368 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
TSHR P16473 1/20 0.70
HTR1B P28222 1/20 0.70
HTR7 P34969 1/20 0.70
HTR2B P41595 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64

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
SCHEMBL7474354 1.00 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8010247 1.00 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27351354 0.84 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27347000 0.84 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL14275261 0.84 HTR1A (0.83) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL13398069 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL84178 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL29451114 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
Way-100,635 SCHEMBL30720034 0.82 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8136258 0.82 HTR1A (0.70) HTR1AMEN1KMT2AADRA1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP claimed
US-7731940-B2 N-(2-[4-(2-methoxyphenyl)piperazinyl]ethyl)-N-(2-pyridyl)-N-(4-18F-fluoro-methylcyclohexane)carboxamide, used for treating panic, bipolar or seizure disorders, and as a quantitative tool for measuring serotonin concentration in the brain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-08 US disclosed
US-20070196271-A1 COMPOSITIONS AND METHODS RELATED TO SEROTONIN 5-HT1A RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 US disclosed
EP-0763024-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 2002-08-14 EP disclosed
US-6395902-B1 NOVEL INTERMEDIATES IN THE PREPARATION OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES AS END COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 2002-05-28 US disclosed
US-6175012-B1 REACTING 4-METHYL-3-(2-PYRIDYL)-(1,2,3,)OXATHIAZOLIDINE-2,2-DIOXIDE, FOR EXAMPLE WITH A 1-(ARYL OR HETEROARYL)PIPERAZINE TO FORM A 1-(HETERO)ARYL-4-(HETEROARYLAMINOALKYL)PIPERAZINE; INTERMEDIATE TO 5-HT1A ANTAGONIST DRUGS JOHN WYETH & BROTHER LTD. (GB) 2001-01-16 US disclosed
US-6133449-A Processes and intermediates for the preparation of piperazine derivatives JOHN WYETH & BROTHER LTD. (GB) 2000-10-17 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 (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-20070196271-A1 COMPOSITIONS AND METHODS RELATED TO SEROTONIN 5-HT1A RECEPTORS HTR5A, HTR1A, HTR7 HTR1A 2/4885MEN1 953/4885KMT2A 4007/4885

“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.