SCHEMBL2801968

SCHEMBL2801968

Cc1ccccc1C1C2CN(Cc3ccccc3)CC2CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.43
POLB P06746 1/20 0.42
GRIN2B Q13224 3/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5746496 0.90 GRIN2B (0.44) SCN4APOLBGRIN2BDRD2DRD3
SCHEMBL13196697 0.88 JAK2 (0.42) SCN4APOLBGRIN2B
SCHEMBL2799706 0.83 HTR4 (0.35) SCN4AGRIN2BDRD4KMT2A
SCHEMBL2798097 0.83 HTR4 (0.35) SCN4AGRIN2BDRD4KMT2A
SCHEMBL6310196 0.81 CACNA1G (0.44) POLBGRIN2BSIGMAR1S1PR1S1PR5
SCHEMBL2800688 0.80 SIGMAR1 (0.45) GRIN2BDRD2DRD4BCHESIGMAR1
SCHEMBL13201176 0.79 TACR1 (0.47) SIGMAR1
SCHEMBL2802478 0.79 TACR1 (0.47) SIGMAR1
SCHEMBL5746618 0.79 HSD11B1 (0.46) SCN4APOLBGRIN2BDRD2DRD3
SCHEMBL5746448 0.78 DRD2 (0.44) POLBGRIN2BDRD2DRD3KMT2A

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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 US disclosed
EP-2170064-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2009002770-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-31 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D SCN4A 1770/4885POLB 4131/4885GRIN2B 812/4885

“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.