SCHEMBL19258005

SCHEMBL19258005

CN[C@@H](Cc1ccccc1)CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
MMP8 P22894 1/20 0.43
NPC1 O15118 1/20 0.43
LTA4H P09960 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.43
KCNJ4 P48050 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42

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
SCHEMBL19258136 1.00 SIGMAR1 (0.46) SIGMAR1POLBALDH1A1LMNACYP2D6
SCHEMBL9769074 0.86 LTA4H (0.49) SIGMAR1CYP2D6KMT2ALTA4HTAAR1
SCHEMBL22267968 0.85 ALDH1A1 (0.47) SIGMAR1POLBALDH1A1LMNACYP2D6
SCHEMBL22267895 0.84 KMT2A (0.44) SIGMAR1POLBALDH1A1LMNACYP2D6
SCHEMBL23385710 0.82 KMT2A (0.51) SIGMAR1POLBALDH1A1LMNAGAA
SCHEMBL13267195 0.82 ALDH1A1 (0.50) ALDH1A1LMNAHTTUSP2MMP8
SCHEMBL8488319 0.80 GRIN2D (0.53) SIGMAR1POLBALDH1A1LMNACYP2D6
SCHEMBL6697610 0.78 USP2 (0.52) ALDH1A1LMNACYP2D6KMT2AUSP2
SCHEMBL5913859 0.76 EPHX1 (0.52) SIGMAR1POLBALDH1A1LMNACYP2D6
SCHEMBL367115 0.76 EPHX1 (0.52) SIGMAR1POLBALDH1A1LMNACYP2D6

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 2 patents. 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
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 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-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 SIGMAR1 3483/4885POLB 4409/4885ALDH1A1 4715/4885

“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.