SCHEMBL22267933

SCHEMBL22267933

CC(C)NCCc1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ SIGMAR1 Q99720 3/20 0.36
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADRB2 P07550 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ADRB3 P13945 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL6641420 0.78 KCNH2 (0.40) HRH4HRH3SIGMAR1KCNH2
SCHEMBL2733241 0.77 CHRNA7 (0.52) CYP2D6
SCHEMBL19258129 0.76 TAAR1 (0.48) HRH4HRH3SIGMAR1SMN1; SMN2LMNA
SCHEMBL4425592 0.75 LOXL2 (0.45) HRH3SIGMAR1HTTSMN1; SMN2LMNA
SCHEMBL14021986 0.71 NOS3 (0.33) —
SCHEMBL13662376 0.71 ATM (0.35) HRH4HRH3CYP2D6
SCHEMBL14701556 0.71 NOS2 (0.44) HRH4HRH3SIGMAR1HTTSMN1; SMN2
SCHEMBL18162793 0.71 LOXL2 (0.44) HRH4HRH3SIGMAR1HTTSMN1; SMN2
SCHEMBL1148376 0.70 SIGMAR1 (0.68) SIGMAR1SMN1; SMN2LMNASLC6A2OPRK1
SCHEMBL22267906 0.69 EP300 (0.43) HRH4HRH3HTTSMN1; SMN2LMNA

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-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 — — 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 HRH4 1685/4885HRH3 1357/4885SIGMAR1 3483/4885

“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.

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