SCHEMBL13007656

SCHEMBL13007656

CN1CCN(CCC2CCN(C(C)(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
ACHE P22303 2/20 0.36
GNAO1 P09471 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
DRD2 P14416 3/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
DRD3 P35462 3/20 0.31

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
SCHEMBL9611075 0.92 GNAO1 (0.34) NCF1GNAO1DRD2CYP1A2HTR1A
SCHEMBL20234869 0.91 NCF1 (0.34) NCF1ACHEGNAO1SIGMAR1GNAI3
SCHEMBL13007658 0.86 CYP1A2 (0.44) GNAO1SIGMAR1HRH3CYP1A2
SCHEMBL14081460 0.86 NCF1 (0.50) NCF1ACHEGNAO1SIGMAR1GNAI3
SCHEMBL20317545 0.85 GNAO1 (0.31) GNAO1SIGMAR1DRD2CYP1A2HTR1A
SCHEMBL17282109 0.85 NCF1 (0.38) NCF1ACHESIGMAR1HRH3
SCHEMBL13007653 0.85 CYP1A2 (0.47) SIGMAR1HRH3CYP1A2
SCHEMBL22924570 0.84 NCF1 (0.48) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL24453221 0.83 GNAO1 (0.35) ACHEGNAO1CYP1A2
SCHEMBL23594410 0.82 VCP (0.43) SIGMAR1HRH3DRD2DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220124-A1 NOVEL COMPOUNDS HAVING BET, ESTROGEN RECEPTOR, AND ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2022-07-14 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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-20220220124-A1 NOVEL COMPOUNDS HAVING BET, ESTROGEN RECEPTOR, AND ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, ESRRA, ESR1 NCF1 3156/4885ACHE 1691/4885GNAO1 1293/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 NCF1 3127/4885ACHE 1236/4885GNAO1 1566/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 NCF1 3127/4885ACHE 1236/4885GNAO1 1566/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 NCF1 3127/4885ACHE 1236/4885GNAO1 1566/4885

“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.