Sugi Predict

Sugi Predict / Compounds / SCHEMBL4890791

SCHEMBL4890791

SCHEMBL4890791

Cc1nnc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MTOR P42345 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ OXTR P30559 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL8258148 0.86 MAPK1 (0.49) AVPR1AALDH1A1MAPTLMNANPSR1
SCHEMBL4901496 0.86 OXTR (0.39) AVPR1AMAPTPOLBCNR1CNR2
SCHEMBL8256065 0.84 AVPR1A (0.47) AVPR1ACNR1CNR2OXTR
SCHEMBL5428048 0.81 AVPR1A (0.52) AVPR1ACNR1CNR2OXTR
SCHEMBL5436405 0.79 CNR1 (0.55) AVPR1ACNR1CNR2OXTR
SCHEMBL8277898 0.74 AVPR1A (0.46) AVPR1APOLBOXTRKMT2A
Hydrochloric Acid SCHEMBL5443700 0.73 AVPR1A (0.46) AVPR1APOLBOXTRKMT2A
SCHEMBL8255900 0.73 OXTR (0.43) AVPR1ACNR1CNR2OXTR
SCHEMBL315925 0.73 NPY5R (0.44) AVPR1ACNR1CNR2OXTR
SCHEMBL4897426 0.73 AVPR1A (0.44) AVPR1AMAPTCNR1CNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 — — US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 — — US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 — — US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — WO disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 — — 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A AVPR1A 3/4885ALDH1A1 2526/4885MAPT 4857/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885ALDH1A1 1333/4885MAPT 4528/4885

“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.