SCHEMBL6927697

SCHEMBL6927697

CC(N)c1ccc(Cl)cc1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
ADRB2 P07550 1/20 0.41
S1PR3 Q99500 1/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38

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
SCHEMBL10053114 0.85 LMNA (0.42) LMNAHTTTP53S1PR3MAPT
SCHEMBL9463804 0.83 LMNA (0.41) LMNAHTTTP53S1PR3MAPT
SCHEMBL17711626 0.82 LMNA (0.42) LMNAHTTTP53S1PR3MAPT
SCHEMBL17711627 0.82 LMNA (0.42) LMNAHTTTP53S1PR3MAPT
SCHEMBL4941752 0.77 MAPT (0.46) MAPTMEN1KMT2AHTR2A
SCHEMBL1154551 0.76 MAPT (0.41) LMNAHTTTP53S1PR3MAPT
SCHEMBL5021129 0.76 LMNA (0.39) LMNAHTTTP53ADRB2CYP3A4
Hydrochloric Acid SCHEMBL32667795 0.76 PTGDR2 (0.38) LMNAHTTTP53MAPTCYP3A4
SCHEMBL3317981 0.74 TP53 (1.00) LMNAHTTTP53ADRB2CYP3A4
SCHEMBL5492924 0.74 TP53 (1.00) LMNAHTTTP53ADRB2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI LMNA 3844/4885HTT 1091/4885TP53 4690/4885

“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.