SCHEMBL313831

SCHEMBL313831

CC(C)(C)OC(=O)N1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
GPR119 Q8TDV5 5/20 0.48
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL31548821 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL18497670 0.89 ALDH1A1 (0.51) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL2735457 0.87 SIGMAR1 (0.60) ALDH1A1LMNAMAPTGPR119SIGMAR1
SCHEMBL5514449 0.85 KMT2A (0.52) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL6400282 0.85 KDM4E (0.57) GPR119
SCHEMBL2803619 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL313620 0.83 SIGMAR1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6SIGMAR1
SCHEMBL19706320 0.82 KDM4E (0.55) ALDH1A1LMNAMAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL16694512 0.82 SIGMAR1 (0.50) ALDH1A1MAPTCYP1A2CYP2D6SIGMAR1
SCHEMBL34473065 0.82 ALDH1A1 (0.56) ALDH1A1LMNAMAPTCYP1A2CYP2D6

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 10 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
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 754/4885MAPT 4470/4885

“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.