SCHEMBL6319241

SCHEMBL6319241

O=C(O)N1CC2CN(Cc3ccccc3)C=C2C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TACR1 P25103 1/20 0.35
FUCA1 P04066 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
DRD2 P14416 1/20 0.34
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6316979 0.85 HTR2C (0.43) POLBMEN1KMT2A
SCHEMBL4692053 0.69 ALDH1A1 (0.39) HPGDTSHRALDH1A1POLBS1PR1
SCHEMBL6311313 0.69 BACE1 (0.35) ALDH1A1POLBSIGMAR1KMT2A
SCHEMBL5540890 0.63 SIGMAR1 (0.46) ALDH1A1S1PR1S1PR5FUCA1SIGMAR1
SCHEMBL25327452 0.63 PDK1 (0.55) TACR1DRD2BRD4
SCHEMBL1749081 0.62 GSK3A (0.40) HPGDTSHRALDH1A1FUCA1MEN1
SCHEMBL4657693 0.62 RIPK1 (0.47) ALDH1A1POLBMEN1KMT2A
SCHEMBL4657697 0.62 RIPK1 (0.47) ALDH1A1POLBMEN1KMT2A
Acetic Acid SCHEMBL28332665 0.61 CYP2D6 (0.49) TSHRALDH1A1POLBS1PR1S1PR5
SCHEMBL5041382 0.61 SIGMAR1 (0.47) SIGMAR1

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 HPGD 2229/4885TSHR 975/4885ALDH1A1 2855/4885

“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.