SCHEMBL314463

SCHEMBL314463

COc1ccccc1N1CCN(C(=O)NC2CCN(C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.62
HTR1D P28221 6/20 0.62
HTR1B P28222 6/20 0.62
HTR2C P28335 4/20 0.62
HTR6 P50406 3/20 0.62
HTR2A P28223 2/20 0.62
HTR7 P34969 2/20 0.62
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.54
AKR1C3 P42330 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL314504 0.84 GAA (0.68) RAB9AGAAALDH1A1KDM4EP2RX4
SCHEMBL314528 0.84 P2RX4 (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL4978037 0.81 RAB9A (0.52) HTR1AHTR7DRD2HTTRAB9A
SCHEMBL20140998 0.80 MCOLN2 (0.55) HTR1AHTR1DHTR1BHTR2CDRD2
SCHEMBL5457650 0.79 DRD2 (0.77) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8759779 0.77 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL4865490 0.77 TSHR (0.64) LMNAMAPTRAB9AGAANPC1
SCHEMBL5748950 0.76 MEN1 (0.50) HTR2ADRD2LMNAHTTMAPT
SCHEMBL3858172 0.76 MEN1 (0.50) HTR2ADRD2LMNAHTTMAPT
SCHEMBL16026545 0.76 PKM (0.74) DRD2DRD3LMNARAB9AAKR1C3

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-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP claimed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US claimed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP disclosed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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 (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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 HTR1A 6/4885HTR1D 5/4885HTR1B 12/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC HTR1A 1680/4885HTR1D 2160/4885HTR1B 755/4885

“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.