SCHEMBL6310215

SCHEMBL6310215

Cc1ccccc1C1C2CN(Cc3ccccc3)CC(CN1C(=O)OCc1ccccc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
HTR2C P28335 1/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR1 P21453 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCR5 P51681 1/20 0.40
POLB P06746 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL6311280 0.88 DRD2 (0.40) CACNA1GCACNA1HCACNA1IHTR2CCCR5
SCHEMBL6311540 0.86 CCR5 (0.46) CACNA1GCACNA1HCACNA1IHTR2CS1PR5
SCHEMBL6310196 0.82 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IHTR2CS1PR5
SCHEMBL5747751 0.80 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IHTR2CS1PR5
SCHEMBL6309596 0.78 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL6310201 0.73 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IHTR2CPSEN1
SCHEMBL6317296 0.71 DRD2 (0.41) CACNA1GCACNA1HCACNA1IS1PR5POLB
SCHEMBL1896746 0.71 USP30 (0.51) S1PR5S1PR1
SCHEMBL1897605 0.71 S1PR5 (0.49) S1PR5S1PR1POLB
SCHEMBL13041176 0.71 S1PR5 (0.49) S1PR5S1PR1POLB

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 CACNA1G 1297/4885CACNA1H 1149/4885CACNA1I 1335/4885

“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.