SCHEMBL6317296

SCHEMBL6317296

Cc1cc(F)ccc1C1C2CN(Cc3ccccc3)CC2CN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GRIN2B Q13224 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
MAOB P27338 1/20 0.39
S1PR5 Q9H228 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL5746448 0.89 DRD2 (0.44) DRD2DRD3GRIN2BMEN1KMT2A
SCHEMBL6310196 0.88 CACNA1G (0.44) GRIN2BPOLBTMEM97SIGMAR1CACNA1G
SCHEMBL6311280 0.84 DRD2 (0.40) DRD2DRD3MEN1KMT2APOLB
SCHEMBL5746787 0.84 HTR2C (0.46) POLBTMEM97SIGMAR1PTGDR2
SCHEMBL6316974 0.81 GRIN2B (0.47) GRIN2BTMEM97SIGMAR1CACNA1GCACNA1H
SCHEMBL5744862 0.78 CYP2D6 (0.41) POLBCACNA1GCACNA1HCACNA1IPTGDR2
SCHEMBL5748184 0.77 HSD11B1 (0.41) DRD2DRD3GRIN2BMEN1KMT2A
SCHEMBL5746496 0.76 GRIN2B (0.44) DRD2DRD3GRIN2BPOLBS1PR5
SCHEMBL5747642 0.76 HSD11B1 (0.44) DRD2DRD3GRIN2BMEN1KMT2A
SCHEMBL6317300 0.75 PTGDR2 (0.41) POLBTMEM97SIGMAR1CACNA1GCACNA1H

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 DRD2 701/4885DRD3 948/4885GRIN2B 296/4885

“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.