SCHEMBL115105

SCHEMBL115105

CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
MAPT P10636 3/20 0.53
BACE1 P56817 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TACR1 P25103 1/20 0.45
PDK2 Q15119 1/20 0.45
STS P08842 1/20 0.44
MC4R P32245 1/20 0.44
ENPP2 Q13822 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16164 0.90 MAPT (0.46) GPR119MAPTBACE1LMNAALDH1A1
SCHEMBL20495447 0.90 GPR119 (0.53) GPR119MAPTBACE1LMNAALDH1A1
SCHEMBL12089510 0.89 LMNA (0.46) GPR119MAPTBACE1LMNAALDH1A1
SCHEMBL14453584 0.87 GPR119 (0.55) GPR119MAPTLMNAALDH1A1TACR1
SCHEMBL3922455 0.86 GPR119 (0.69) GPR119MAPTLMNAALDH1A1TACR1
SCHEMBL4422111 0.86 GPR119 (0.54) GPR119MAPTLMNAALDH1A1TACR1
SCHEMBL3923112 0.86 GPR119 (0.54) GPR119MAPTLMNAALDH1A1TACR1
SCHEMBL31142873 0.86 GPR119 (0.69) GPR119MAPTLMNAALDH1A1TACR1
SCHEMBL22539532 0.86 MC4R (0.44) GPR119MAPTALDH1A1TACR1STS
SCHEMBL19078505 0.86 MC4R (0.44) GPR119MAPTALDH1A1TACR1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 GPR119 118/4885MAPT 4724/4885BACE1 4025/4885
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R GPR119 105/4885MAPT 3317/4885BACE1 4722/4885

“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.