SCHEMBL2249240

SCHEMBL2249240

CCCCCN(CCC)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
GNAO1 P09471 12/20 0.42
GNAI3 P08754 11/20 0.42
GNAI1 P63096 11/20 0.42
DNM1 Q05193 3/20 0.33
HRH4 Q9H3N8 1/20 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
SCHEMBL7064806 0.92 SIGMAR1 (0.40) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL27666610 0.90 SIGMAR1 (0.46) SIGMAR1GNAO1GNAI3GNAI1HRH4
SCHEMBL4723821 0.85 SIGMAR1 (0.44) SIGMAR1GNAO1GNAI3GNAI1HRH4
SCHEMBL19040775 0.85 GNAO1 (0.43) SIGMAR1GNAO1GNAI3GNAI1DNM1
SCHEMBL4724864 0.80 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1HRH4
SCHEMBL4722679 0.79 SIGMAR1 (0.34) SIGMAR1
SCHEMBL10444399 0.79 DNM1 (0.39) SIGMAR1GNAO1GNAI3GNAI1DNM1
Hydrochloric Acid SCHEMBL29616253 0.78 SIGMAR1 (0.35) SIGMAR1GNAO1GNAI3GNAI1
Hydrochloric Acid SCHEMBL6291773 0.78 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1DNM1
Bromide SCHEMBL6291201 0.78 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 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 (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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R SIGMAR1 1205/4885GNAO1 1385/4885GNAI3 624/4885

“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.