SCHEMBL6311540

SCHEMBL6311540

O=C1C2CN(Cc3ccccc3)CC1C(c1ccccc1)N(C(=O)OCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
S1PR5 Q9H228 2/20 0.44
HTR2C P28335 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
S1PR1 P21453 1/20 0.40
CHRM4 P08173 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL6310215 0.86 CACNA1G (0.44) CCR5PSEN1PSEN2APH1BNCSTN
SCHEMBL6311280 0.81 DRD2 (0.40) CCR5HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL6316974 0.80 GRIN2B (0.47) CCR5PSEN1PSEN2APH1BNCSTN
SCHEMBL6319094 0.76 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2962712 0.72 FUCA1 (0.58) S1PR5S1PR1
SCHEMBL20587395 0.71 AGTR2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14646619 0.71 PDK1 (0.59) HTR2CNPC1RAB9ASMN1; SMN2PDK1
SCHEMBL7378920 0.70 SMN1; SMN2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6222025 0.70 SMN1; SMN2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7378922 0.70 SMN1; SMN2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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 CCR5 308/4885PSEN1 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.