SCHEMBL5098377

SCHEMBL5098377

Nc1ccccc1CCOCc1nnc(C2CCN(c3ncccn3)CC2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
USP30 Q70CQ3 1/20 0.32
DRD4 P21917 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KDM4E B2RXH2 3/20 0.32
RBP4 P02753 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL5108341 0.90 AVPR1A (0.40) AVPR1A
SCHEMBL5101612 0.83 TNKS (0.36) MEN1KMT2ATNKSPARP1PARP2
SCHEMBL5108316 0.81 AVPR1A (0.42) AVPR1A
SCHEMBL5108526 0.80 AVPR1A (0.44) AVPR1A
SCHEMBL5102064 0.76 AVPR1A (0.46) ALDH1A1AVPR1A
SCHEMBL5107892 0.75 AVPR1A (0.46) AVPR1A
SCHEMBL5108606 0.75 DPP4 (0.46) DRD4DPP4DPP8DPP9DPP7
SCHEMBL5098041 0.74 DPP4 (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5101589 0.73 AVPR1A (0.47) ALDH1A1L3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL14464208 0.73 AVPR1A (0.48) ALDH1A1KDM4EMAPTAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US claimed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 US disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 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 (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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 ALDH1A1 940/4885MEN1 2666/4885NPC1 765/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 ALDH1A1 1425/4885MEN1 2519/4885NPC1 457/4885

“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.