SCHEMBL5486068

SCHEMBL5486068

O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 3/20 0.54
PKM P14618 1/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
HSD11B1 P28845 2/20 0.50

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
SCHEMBL5486064 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5474315 0.82 HSD11B1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5474311 0.82 HSD11B1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5477436 0.81 MAPT (0.59) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL5470754 0.81 MAPT (0.59) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL5470757 0.81 MAPT (0.59) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL5475174 0.81 MAPT (0.59) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL5478093 0.81 MAPT (0.59) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL5479946 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBHSD11B1
SCHEMBL3170967 0.79 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed

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-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 ALDH1A1 68/4885SMN1; SMN2 4541/4885MEN1 1206/4885

“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.