SCHEMBL314513

SCHEMBL314513

CN1CCN(CCOC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 4/20 0.64
MAPK1 P28482 2/20 0.64
RAB9A P51151 1/20 0.64
POLB P06746 1/20 0.57
HTR4 Q13639 1/20 0.57
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2A P28223 1/20 0.55
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TSHR P16473 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 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
SCHEMBL313887 0.86 LMNA (0.53) ALDH1A1LMNAMAPK1RAB9ADRD2
SCHEMBL11810344 0.85 HTR2A (0.62) ALDH1A1LMNAMAPK1RAB9APOLB
Hydrochloric Acid SCHEMBL314223 0.85 LMNA (0.52) ALDH1A1LMNAMAPK1RAB9ADRD2
Hydrochloric Acid SCHEMBL11805611 0.84 HTR2A (0.61) ALDH1A1LMNAMAPK1RAB9APOLB
SCHEMBL313962 0.83 HTR1A (0.57) ALDH1A1LMNAHTR4DRD2DRD3
SCHEMBL10365706 0.82 HTR2A (0.63) ALDH1A1LMNAPOLBHTR4DRD2
SCHEMBL11811081 0.81 SIGMAR1 (0.62) POLBHTR4DRD2DRD3HTR2A
SCHEMBL11811826 0.81 HTR4 (0.57) ALDH1A1LMNAMAPK1POLBHTR4
Hydrochloric Acid SCHEMBL11808945 0.80 HTR4 (0.56) ALDH1A1LMNAPOLBHTR4DRD2
SCHEMBL6258508 0.79 POLB (0.70) ALDH1A1LMNAMAPK1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP claimed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US claimed
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
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
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US 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
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US 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
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 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-20090281087-A1 Compounds II GPR119, FABP4, LIPC ALDH1A1 2717/4885LMNA 754/4885MAPK1 1914/4885

“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.