SCHEMBL4446700

SCHEMBL4446700

O=C(CCl)N1C[C@H]2CCC[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 1/20 0.52
HSD11B1 P28845 3/20 0.45
CHRNB2 P17787 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA7 P36544 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
YAP1 P46937 2/20 0.35
TEAD4 Q15561 2/20 0.35
PRMT3 O60678 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 2/20 0.32
NPC1 O15118 1/20 0.32
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 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
SCHEMBL4436959 1.00 ALDH1A1 (0.52) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3
SCHEMBL771591 0.84 ALDH1A1 (0.54) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL24694729 0.82 ALDH1A1 (0.47) ALDH1A1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL13626345 0.81 ALDH1A1 (0.50) ALDH1A1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL20343378 0.80 HSD11B1 (0.47) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3
SCHEMBL20343499 0.80 HSD11B1 (0.47) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3
SCHEMBL20343582 0.78 HSD11B1 (0.45) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3
SCHEMBL20343593 0.78 CHRNB2 (0.62) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3
SCHEMBL224873 0.77 ALDH1A1 (0.52) ALDH1A1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL20343504 0.77 HSD11B1 (0.44) ALDH1A1LMNAHSD11B1CHRNB2CHRNA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A ALDH1A1 2622/4885LMNA 2105/4885HSD11B1 201/4885

“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.