SCHEMBL4721068

SCHEMBL4721068

CN(C)CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GPR119 Q8TDV5 11/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.48
NAMPT P43490 1/20 0.48

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
SCHEMBL21659378 0.86 MAPT (0.58) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL22776398 0.86 MAPT (0.58) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL23868398 0.86 MAPT (0.58) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL21659187 0.85 MAPT (0.60) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL21659329 0.85 MAPT (0.57) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL3575001 0.85 MAPT (0.57) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL3116747 0.85 MAPT (0.57) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL24091548 0.85 EGLN2 (0.51) MAPTLMNAALDH1A1GPR119
SCHEMBL20305774 0.84 MAPT (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL24378197 0.84 MAPT (0.61) MAPTLMNAALDH1A1GPR119SMN1; SMN2

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
CN-110742893-B Methods of treating cancer with A2A receptor antagonists 百济神州(北京)生物科技有限公司 2024-04-05 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
CN-110742893-A Methods of treating cancer with A2A receptor antagonists 百济神州(北京)生物科技有限公司 2020-02-04 CN disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
CN-1300114-C Phenylpyridine formyl piperazine derivatives YAMANOUCHI PHARMA CO LTD (JP) 2007-02-14 CN disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
CN-1516691-A Phenylpyridine carbonyl piperazine derivative ֮����ҩ��ʽ���� 2004-07-28 CN disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B MAPT 4383/4885LMNA 4609/4885ALDH1A1 1114/4885
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MAPT 4798/4885LMNA 3464/4885ALDH1A1 77/4885

“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.