SCHEMBL5212381

SCHEMBL5212381

Cc1nnc(CC2CCN(c3ncccn3)CC2)n1[C@@H](C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ACHE P22303 3/20 0.38
GRM2 Q14416 3/20 0.38
AVPR1A P37288 1/20 0.36
LMNA P02545 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5212390 1.00 HTR1A (0.40) HTR1AACHEGRM2AVPR1ALMNA
SCHEMBL5214155 0.81 AVPR1A (0.49) HTR1AACHEAVPR1ALMNAMAPT
SCHEMBL5216448 0.71 AVPR1A (0.48) HTR1AACHEAVPR1ALMNAALDH1A1
SCHEMBL5215084 0.71 AVPR1A (0.48) HTR1AACHEAVPR1ALMNAALDH1A1
SCHEMBL8119586 0.71 TSHR (0.64) LMNAALDH1A1TSHRMAPTKDM4E
SCHEMBL5214278 0.70 AVPR1A (0.47) HTR1AACHEAVPR1AKDM4ECYP2C19
SCHEMBL5214267 0.70 AVPR1A (0.47) HTR1AACHEAVPR1AKDM4ECYP2C19
SCHEMBL5212007 0.70 ALDH1A1 (0.48) HTR1AAVPR1ALMNAALDH1A1TSHR
SCHEMBL5215932 0.70 AVPR1A (0.65) AVPR1A
Hydrochloric Acid SCHEMBL5211566 0.69 ALDH1A1 (0.47) HTR1AAVPR1ALMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP claimed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US 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
EP-1656183-B1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LTD (GB) 2007-12-05 EP disclosed
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP 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

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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A HTR1A 91/4885ACHE 4360/4885GRM2 3170/4885
US-20050026810-A1 Treatment of male sexual dysfunction AVPR1A, AVPR1B, AVPR2 HTR1A 28/4885ACHE 2809/4885GRM2 2566/4885

“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.