SCHEMBL6316979

SCHEMBL6316979

O=C(OCc1ccccc1)N1CC2CN(Cc3ccccc3)C=C2C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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 0.86 CACNA1G (0.44) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL6319241 0.85 HPGD (0.40) MEN1KMT2APOLB
SCHEMBL6317300 0.81 PTGDR2 (0.41) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL6222025 0.70 SMN1; SMN2 (0.49) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL7378922 0.70 SMN1; SMN2 (0.49) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL7378920 0.70 SMN1; SMN2 (0.49) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL29906748 0.70 PARP1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16158890 0.70 SMN1; SMN2 (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6311540 0.70 CCR5 (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5517077 0.70 HTR2C (0.64) HTR2CPSEN1PSEN2APH1BNCSTN

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 HTR2C 287/4885PSEN1 2258/4885PSEN2 2161/4885

“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.