SCHEMBL4396498

SCHEMBL4396498

CCCN1CCN(CCN)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.72
DRD2 P14416 5/20 0.43
SIGMAR1 Q99720 3/20 0.43
ACE2 Q9BYF1 1/20 0.42
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL179843 0.85 ALOX15 (1.00) ALOX15SIGMAR1ACE2ALDH1A1
SCHEMBL384210 0.85 DRD2 (0.52) ALOX15DRD2SIGMAR1GNAI3GNAO1
SCHEMBL6512381 0.85 DRD2 (0.52) ALOX15DRD2SIGMAR1GNAI3GNAO1
SCHEMBL19546253 0.85 DRD2 (0.52) ALOX15DRD2SIGMAR1GNAI3GNAO1
SCHEMBL681521 0.85
SCHEMBL1046369 0.85 DRD2 (0.52) ALOX15DRD2SIGMAR1GNAI3GNAO1
SCHEMBL3975418 0.85 ALOX15 (1.00) ALOX15SIGMAR1ACE2ALDH1A1
SCHEMBL242967 0.85
SCHEMBL4392829 0.84 ALOX15 (0.65) ALOX15SIGMAR1ACE2GNAI3GNAO1
SCHEMBL1861653 0.84 KEAP1 (0.54) ALOX15SIGMAR1ACE2GNAI3GNAO1

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-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides ARVINAS OPERATIONS, INC. (US) 2020-10-20 US disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed
EP-2365962-B1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2017-07-05 EP disclosed
US-20170119907-A1 Targeted Therapeutics MEDIVATION TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-9631131-B2 Polyaminopolyamide-epichlorohydrin resins for use as clay and shale inhibition agents for the drilling industry DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-25 US disclosed
EP-3097908-A1 LIPID COMPOSITIONS Arbutus Biopharma Corporation (CA) 2016-11-30 EP disclosed
US-20150353807-A1 POLYAMINOPOLYAMIDE-EPICHLOROHYDRIN RESINS FOR USE AS CLAY AND SHALE INHIBITION AGENTS FOR THE DRILLING INDUSTRY THE DOW CHEMICAL COMPANY (US) 2015-12-10 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8906979-B2 Macrophotoinitiators BASF SE (DE) 2014-12-09 US disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 WO disclosed
US-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed
EP-0525203-A1 SUBSTITUTED SULFONAMIDE DERIVATIVE OR PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-02-03 EP disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US 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 (4 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 ALOX15 4810/4885DRD2 4732/4885SIGMAR1 2720/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 ALOX15 2471/4885DRD2 4829/4885SIGMAR1 4266/4885
US-20170119907-A1 Targeted Therapeutics ANXA3, ANXA5, ANXA6 ALOX15 2768/4885DRD2 3840/4885SIGMAR1 2054/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 ALOX15 4836/4885DRD2 4657/4885SIGMAR1 3633/4885

“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.