SCHEMBL3105995

SCHEMBL3105995

COC1CCN(Cc2nnc(C3CCN(c4ccccn4)CC3)n2Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.77
EHMT2 Q96KQ7 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
OGA O60502 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
SCHEMBL5214235 0.94 AVPR1A (0.71) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL5213904 0.94 AVPR1A (0.71) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL6187520 0.88 AVPR1A (0.63) AVPR1AEHMT2NPC1MAPTHTT
SCHEMBL5212353 0.88 AVPR1A (0.82) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5694605 0.87 AVPR1A (0.61) AVPR1AEHMT2
SCHEMBL5214851 0.87 AVPR1A (0.81) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5218432 0.85 AVPR1A (1.00) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5215730 0.85 AVPR1A (0.78) AVPR1ANPC1MAPTHTTRAB9A
SCHEMBL5215652 0.84 AVPR1A (0.55) AVPR1A
SCHEMBL5212834 0.83 AVPR1A (0.72) AVPR1A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP claimed
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP claimed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP claimed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US claimed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO claimed
US-8278343-B2 Pyrrolidines PFIZER INC. (US) 2012-10-02 US disclosed
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
US-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 US disclosed
US-20100120793-A1 Pyrrolidines PFIZER ANIMAL HEALTH UK 1 LIMITED (GB) 2010-05-13 US disclosed
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
EP-1656183-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION Pfizer Limited (GB) 2006-05-17 EP disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20050026810-A1 Treatment of male sexual dysfunction PFIZER INC. 2005-02-03 US disclosed
WO-2005006899-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2005-01-27 WO disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 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 (6 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-20100120793-A1 Pyrrolidines PTGER2, PTGDR2, PTGES2 AVPR1A 104/4885EHMT2 1544/4885NPC1 4756/4885
US-20100256109-A1 Azetidines As EP2 Antagonists PTGER2, PTGER1, PTGDR2 AVPR1A 1068/4885EHMT2 441/4885NPC1 4415/4885
US-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A AVPR1A 3/4885EHMT2 4856/4885NPC1 2137/4885
US-20080280877-A1 Azetidines PTGER2, PTGER1, PTGDR2 AVPR1A 485/4885EHMT2 1069/4885NPC1 3819/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885EHMT2 3321/4885NPC1 2200/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 AVPR1A 67/4885EHMT2 3690/4885NPC1 3473/4885

“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.