SCHEMBL5746503

SCHEMBL5746503

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
CACNA1G O43497 3/20 0.34
CACNA1H O95180 3/20 0.34
CACNA1I Q9P0X4 3/20 0.34
MAOB P27338 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
MAPT P10636 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL6310201 0.87 CACNA1G (0.44) SMN1; SMN2POLBCACNA1GCACNA1HCACNA1I
SCHEMBL6319241 0.84 HPGD (0.40) POLBS1PR1S1PR5
SCHEMBL6311319 0.73 HTR2C (0.35) MAOBMAPT
SCHEMBL6316979 0.71 HTR2C (0.43) SMN1; SMN2POLBCACNA1GCACNA1HCACNA1I
SCHEMBL5746496 0.67 GRIN2B (0.44) SCN4APOLBS1PR1S1PR5
SCHEMBL3283306 0.66 CCR5 (0.41) SCN4A
SCHEMBL25366111 0.65 HTR2C (0.41) MAOB
SCHEMBL25363491 0.65 HTR2C (0.41) MAOB
SCHEMBL4692053 0.65 ALDH1A1 (0.39) SMN1; SMN2POLBS1PR1S1PR5
SCHEMBL5746618 0.65 HSD11B1 (0.46) SCN4APOLBS1PR1S1PR5

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 claimed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
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 SCN4A 458/4885SMN1; SMN2 2634/4885POLB 4702/4885

“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.