SCHEMBL5747751

SCHEMBL5747751

Cc1ccccc1C1C2CC(CN(Cc3ccccc3)C2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.41
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 1/20 0.40
GRIN2B Q13224 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2C P28335 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
SCHEMBL6312719 0.89 HSD11B1 (0.43) HSD11B1S1PR5S1PR1GRIN2B
SCHEMBL5746618 0.88 HSD11B1 (0.46) HSD11B1POLBS1PR5S1PR1GRIN2B
SCHEMBL6310196 0.85 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IPOLBS1PR5
SCHEMBL6310215 0.80 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IPOLBS1PR5
SCHEMBL5748184 0.78 HSD11B1 (0.41) HSD11B1GRIN2BSIGMAR1
SCHEMBL5747642 0.77 HSD11B1 (0.44) HSD11B1POLBGRIN2BSIGMAR1
SCHEMBL6309403 0.75 HSD11B1 (0.47) HSD11B1S1PR5S1PR1GRIN2B
SCHEMBL6317296 0.75 DRD2 (0.41) CACNA1GCACNA1HCACNA1IPOLBS1PR5
SCHEMBL5747422 0.74 HSD11B1 (0.51) HSD11B1S1PR5S1PR1GRIN2B
SCHEMBL20587395 0.74 AGTR2 (0.48) HSD11B1S1PR5S1PR1TMEM97SIGMAR1

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
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 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-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.