SCHEMBL5746450

SCHEMBL5746450

Cc1cc(F)ccc1C1C2=CN(Cc3ccccc3)CC2CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRCP P42785 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TACR1 P25103 3/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
AMPD2 Q01433 2/20 0.34
ACHE P22303 1/20 0.34

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) SIGMAR1PTGDR2CACNA1GCACNA1HCACNA1I
SCHEMBL6319241 0.78 HPGD (0.40) MEN1KMT2AALDH1A1SIGMAR1TACR1
SCHEMBL6311513 0.75 KDM4E (0.41) SIGMAR1TACR1
SCHEMBL5745280 0.73 TACR1 (0.37) TACR1
SCHEMBL5746448 0.71 DRD2 (0.44) MEN1KMT2AALDH1A1SIGMAR1ACHE
SCHEMBL5747642 0.69 HSD11B1 (0.44) MEN1KMT2AALDH1A1SIGMAR1ACHE
SCHEMBL5746790 0.69 PTGDR2 (0.41) SIGMAR1PTGDR2
SCHEMBL6316979 0.66 HTR2C (0.43) MEN1KMT2ALMNACACNA1GCACNA1H
SCHEMBL5744473 0.65 DRD2 (0.40) MEN1KMT2AALDH1A1LMNASIGMAR1
SCHEMBL6311280 0.65 DRD2 (0.40) MEN1KMT2ASIGMAR1CACNA1GCACNA1H

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 MEN1 861/4885KMT2A 944/4885ATM 4396/4885

“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.