SCHEMBL6310201

SCHEMBL6310201

Cc1ccccc1C1C2=CN(Cc3ccccc3)CC2CN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

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
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
POLB P06746 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL6317300 0.88 PTGDR2 (0.41) CACNA1GCACNA1HCACNA1IHTR2CPSEN1
SCHEMBL5746503 0.87 SCN4A (0.36) CACNA1GCACNA1HCACNA1IPOLBSMN1; SMN2
SCHEMBL6316979 0.86 HTR2C (0.43) CACNA1GCACNA1HCACNA1IHTR2CPSEN1
SCHEMBL6310215 0.73 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IHTR2CPSEN1
SCHEMBL6310196 0.72 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IHTR2CPSEN1
SCHEMBL6319241 0.71 HPGD (0.40) POLB
SCHEMBL6309596 0.70 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IHTR2C
SCHEMBL5747751 0.70 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IHTR2CPOLB
SCHEMBL19404810 0.70 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL5517077 0.69 HTR2C (0.64) CACNA1GCACNA1HCACNA1IHTR2CPSEN1

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.