Sugi Predict

Sugi Predict / Compounds / SCHEMBL5522656

SCHEMBL5522656

SCHEMBL5522656

COc1ccc2c(c1)CCNC2c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GID4 Q8IVV7 1/20 0.69
▸ CA1 P00915 4/20 0.68
▸ CA2 P00918 4/20 0.68
▸ CA9 Q16790 4/20 0.68
▸ CA14 Q9ULX7 4/20 0.68
▸ CA7 P43166 3/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ KDM1A O60341 3/20 0.60
▸ PRCP P42785 2/20 0.59
▸ GAA P10253 1/20 0.58
▸ HTR2C P28335 1/20 0.54
▸ DRD2 P14416 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL2364169 0.88 GID4 (0.69) GID4CA1CA2CA9CA14
SCHEMBL19453945 0.87 CA1 (0.70) GID4CA1CA2CA9CA14
SCHEMBL29670244 0.87 CA1 (0.70) GID4CA1CA2CA9CA14
SCHEMBL6715375 0.86 CA1 (0.60) GID4CA1CA2CA9CA14
SCHEMBL28742350 0.86 CA1 (0.69) GID4CA1CA2CA9CA14
SCHEMBL6716383 0.86 CA1 (0.69) GID4CA1CA2CA9CA14
SCHEMBL6715368 0.86 CA1 (0.69) GID4CA1CA2CA9CA14
SCHEMBL15033501 0.84 GID4 (0.72) GID4CA1CA2CA9CA14
SCHEMBL5515817 0.83 CA1 (0.66) GID4CA1CA2CA9CA14
SCHEMBL4669532 0.83 CA1 (0.62) GID4CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 — — EP disclosed
EP-2736332-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 — — EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
US-7256201-B2 Selective estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-08-14 — — US disclosed
US-20050101584-A1 Selective estrogen receptor-beta ligands ASTRAZENECA AB (SE) 2005-05-12 — — US disclosed
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 — — US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 — — US disclosed
EP-1341765-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-10 — — EP disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 — — US disclosed
WO-2002046164-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 — — WO disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 — — US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 — — 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 (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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GID4 532/4885CA1 4479/4885CA2 4638/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GID4 532/4885CA1 4479/4885CA2 4638/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GID4 532/4885CA1 4479/4885CA2 4638/4885
US-20140155381-A1 COMPOUNDS AND METHODS RORC, RORB, RORA GID4 3262/4885CA1 2955/4885CA2 3116/4885
US-20050101584-A1 Selective estrogen receptor-beta ligands ESR2, ESRRA, ESRRB GID4 815/4885CA1 3708/4885CA2 4743/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA GID4 3262/4885CA1 2955/4885CA2 3116/4885

“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.