SCHEMBL830033

SCHEMBL830033

c1cnc2c(c1)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
SIGMAR1 Q99720 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL3991228 1.00 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1
SCHEMBL13034003 1.00 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1
SCHEMBL30731355 1.00 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1
SCHEMBL29811187 1.00 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1
SCHEMBL1276776 1.00 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1
SCHEMBL30022542 0.98 TSHR (0.44) TSHRACHEDRD2DRD3GRIN1
SCHEMBL29405362 0.98 TSHR (0.48) TSHRACHEDRD2DRD3GRIN1
SCHEMBL26989 0.98 TSHR (0.48) TSHRACHEDRD2DRD3GRIN1
Ammonia Solution, Strong SCHEMBL28532522 0.96 TSHR (0.42) TSHRACHEDRD2DRD3GRIN1
Hydrochloric Acid SCHEMBL5058971 0.95 TSHR (0.46) TSHRACHEDRD2DRD3GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884574-B A kind of method to methoxy-benzyl protection group of eliminating hydroxide 浙江工业大学 2018-04-13 CN claimed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US claimed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed
US-6271400-B2 SILICON BASED ANHYDROUS OXIDANT; LIGAND; CATALYTIC ORGANO OR INORGANO RHENIUM OXIDE; CONTROLLING EXCESS WATER CONCENTRATION AND MAXIMIZING MONOPEROXOCOMPLEX FORMATION. THE SCRIPPS RESEARCH INSTITUTE 2001-08-07 US claimed
US-20010001798-A1 EPOXIDATION OF OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-24 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-4741436-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, POLYMERIZABLE PREPOLYMER COMPOSITION FOR OPTICAL MATERIAL, CURED ARTICLE, AND METHOD FOR PRODUCING OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2026-05-13 EP disclosed
US-12281062-B2 Light induced catalytic C—H oxygenation of alkanes Ariel Scientific Innovations Ltd. (IL) 2025-04-22 US disclosed
WO-2025041800-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, POLYMERIZABLE PREPOLYMER COMPOSITION FOR OPTICAL MATERIAL, CURED ARTICLE, AND METHOD FOR PRODUCING OPTICAL MATERIAL 三井化学株式会社 2025-02-27 WO disclosed
CN-117050219-B Preparation method and application of pyridocycloheptane imine iron complex catalyst 桂林理工大学 2024-07-23 CN disclosed
WO-2024096030-A1 METHOD FOR PRODUCING OPTICAL MEMBER, AND THERMAL INSULATION MEMBER 三井化学株式会社 2024-05-10 WO disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
US-4762843-A Hetero [f] fused carbocyclic pyridines as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1988-08-09 US disclosed
EP-0260642-A2 Thiazolo [f]-fused hexahydroquinoline derivatives as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1988-03-23 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4332940-A DEHYDRATION OR DEHYDROGENATION MIXED OXIDE CATALYST DEUTSCHE GOLD -UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-06-01 US disclosed
US-4168311-A APHIDICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-18 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 TSHR 2897/4885ACHE 4262/4885DRD2 2887/4885
US-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR TSHR 669/4885ACHE 548/4885DRD2 202/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 TSHR 1517/4885ACHE 3735/4885DRD2 2452/4885
US-12281062-B2 Light induced catalytic C—H oxygenation of alkanes CBR1, CBR3, HAO2 TSHR 4578/4885ACHE 2357/4885DRD2 829/4885

“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.