Sugi Predict

Sugi Predict / Compounds / SCHEMBL4385966

SCHEMBL4385966

SCHEMBL4385966

CC(C)N1CCC(CCCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.43
▸ ESRRG P62508 4/20 0.36
▸ ESRRB O95718 3/20 0.36
▸ ESR1 P03372 3/20 0.36
▸ KCNH2 Q12809 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL21949685 0.93 HRH3 (0.39) HRH3ESRRGESRRBESR1KCNH2
SCHEMBL20088214 0.89 ESRRG (0.35) HRH3ESRRGESRRBESR1KCNH2
SCHEMBL4374290 0.88 HRH3 (0.45) HRH3KCNH2LMNAMEN1MAPT
SCHEMBL31273027 0.87 HRH3 (0.47) HRH3KCNH2CYP2D6SLC18A3ALDH1A1
SCHEMBL31272933 0.87 HRH3 (0.47) HRH3KCNH2CYP2D6SLC18A3ALDH1A1
SCHEMBL20088224 0.83 ESRRG (0.34) HRH3ESRRGESRRBESR1KCNH2
SCHEMBL25122685 0.83 HRH3 (0.50) HRH3KCNH2CYP2D6
SCHEMBL18930340 0.82 AKR1C3 (0.32) AKR1C3
SCHEMBL7706841 0.82 CYP1A2 (0.50) HRH3LMNAMEN1MAPTKMT2A
SCHEMBL9035222 0.80 HRH3 (0.43) HRH3KCNH2CYP2D6SLC18A3ALDH1A1

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
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 — — US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 — — US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 — — US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 — — US disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 — — US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 — — US disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 — — EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 — — EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 — — WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 — — WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 — — EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 — — EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 — — WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 — — 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HRH3 3292/4885ESRRG 1508/4885ESRRB 1199/4885
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 HRH3 27/4885ESRRG 2063/4885ESRRB 2807/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR HRH3 739/4885ESRRG 4583/4885ESRRB 4636/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885ESRRG 3227/4885ESRRB 2889/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HRH3 3292/4885ESRRG 1508/4885ESRRB 1199/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HRH3 3292/4885ESRRG 1508/4885ESRRB 1199/4885

“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.