Sugi Predict

Sugi Predict / Compounds / SCHEMBL751049

SCHEMBL751049

SCHEMBL751049

O=C(OCc1ccccc1)N1CCC(O)(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NOS2 P35228 1/20 0.51
▸ CCR1 P32246 2/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KDM1A O60341 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46

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
SCHEMBL14922381 0.90 CHRM4 (0.50) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL7556949 0.90 CHRM4 (0.61) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL751730 0.90 OPRD1 (0.47) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL8315425 0.89 OPRD1 (0.54) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL14922733 0.89 MEN1 (0.52) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL5740632 0.89 CCR1 (0.50) OPRD1OPRK1MEN1KMT2ACHRM4
SCHEMBL8317190 0.87 NOS2 (0.58) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL6538566 0.87 DRD2 (0.51) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL16936275 0.86 CCR1 (0.64) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL8696969 0.86 RORC (0.58) OPRD1OPRK1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 — — US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 — — EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 — — US disclosed
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 — — EP disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 — — EP disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 — — US disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 — — WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 — — US disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 — — EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 — — US disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 — — EP disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 — — US disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 — — US disclosed
CN-1142822-A Cyclic amide derivatives as neurokinin A antagonists ZENECA LTD (GB) 1997-02-12 — — CN disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 — — US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 — — EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 — — WO disclosed
CN-1098094-A The heterocycle that aryl replaces ZENECA LTD (GB) 1995-02-01 — — CN disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 — — 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 (3 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 OPRD1 256/4885OPRK1 83/4885MEN1 476/4885
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA OPRD1 391/4885OPRK1 120/4885MEN1 554/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA OPRD1 372/4885OPRK1 96/4885MEN1 618/4885

“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.