SCHEMBL4973996

SCHEMBL4973996

CCCN(CCC)CCCN1CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GNAI3 P08754 3/20 0.32
GNAO1 P09471 3/20 0.32
GNAI1 P63096 3/20 0.32
RAB9A P51151 1/20 0.31
DRD2 P14416 2/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL41978 0.88 SIGMAR1 (0.41) SIGMAR1HRH3
SCHEMBL42866 0.86 ACHE (0.37) ALOX15HRH3HTR1A
SCHEMBL666678 0.79 ALOX15 (0.45) ALOX15HRH3DRD2HTR1AHTR2A
SCHEMBL42184 0.79 GNAI3 (0.43) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL651943 0.77 GNAO1 (0.52) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL12435664 0.77 CXCR4 (0.46) SIGMAR1HRH3GNAI3GNAO1GNAI1
SCHEMBL10883021 0.77 SMN1; SMN2 (0.48) SIGMAR1HRH3HTR2ADRD3
SCHEMBL1032225 0.77 SMN1; SMN2 (0.48) SIGMAR1HRH3HTR2ADRD3
SCHEMBL9433020 0.75 GNAO1 (0.55) SIGMAR1HRH3GNAI3GNAO1GNAI1
SCHEMBL10776413 0.75 GNAO1 (0.55) SIGMAR1HRH3GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use KOPPEL GARY A 2008-02-07 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 (1 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-20080033165-A1 [Beta]-Lactamyl Vasopressin V1a Antagonists and Methods of Use AVPR2, AVPR1A, AVPR1B ALOX15 366/4885SIGMAR1 946/4885HRH3 546/4885

“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.