SCHEMBL314335

SCHEMBL314335

O=C(OCC1CCNCC1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
MAOA P21397 3/20 0.53
CHRM4 P08173 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RBP4 P02753 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL314918 0.88 MAPT (0.53) KDM1AMAOAMAPTLMNAKDM4E
SCHEMBL315105 0.88 AKR1C3 (0.47) KDM1AMAOACHRM2CHRM1CHRM3
SCHEMBL314929 0.88 CHRM4 (0.61) CHRM4MAPTLMNAKDM4EGAA
Hydrochloric Acid SCHEMBL6150359 0.86 CHRM4 (0.60) CHRM4MAPTLMNAKDM4EGAA
SCHEMBL314396 0.85 KDM1A (0.53) KDM1ACHRM4MAPTLMNAKDM4E
Formic Acid SCHEMBL313953 0.81 KDM1A (0.49) KDM1ACHRM4MAPTLMNAKDM4E
SCHEMBL314976 0.79 CHRM4 (0.52) CHRM4LMNAGPR119SIGMAR1
SCHEMBL27152216 0.79 ITGB3 (0.51) KDM1AMAOACHRM2CHRM1CHRM3
SCHEMBL1183937 0.77 AKR1C3 (0.47) MAPTLMNAKDM4EGAANPSR1
SCHEMBL1183372 0.77 AKR1C3 (0.47) MAPTLMNAKDM4EGAANPSR1

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 5 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 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

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 KDM1A 4310/4885MAOA 3176/4885CHRM4 1879/4885

“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.