SCHEMBL6488751

SCHEMBL6488751

[NH]C(=O)C1(c2cc[nH]n2)CCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
AKR1C1 Q04828 1/20 0.33
HSD11B1 P28845 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 2/20 0.31
FFAR2 O15552 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3421799 0.81 LMNA (0.42) LMNAAKR1C1HDAC4ALDH1A1MEN1
SCHEMBL3420299 0.74 LMNA (0.34) LMNA
SCHEMBL2633376 0.73 BCHE (0.35) LMNAALDH1A1TSHRGAASMN1; SMN2
SCHEMBL30714349 0.72 CYP19A1 (0.31)
SCHEMBL25262861 0.71 MEN1 (0.33) LMNAHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL1763518 0.71 BCHE (0.33) TSHR
SCHEMBL28707092 0.70 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL29168030 0.69
SCHEMBL22163905 0.68 OPRM1 (0.48) SMN1; SMN2
SCHEMBL34468959 0.67 ALOX15 (0.35)

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-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-23 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-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors HABP2, SERPINC1, F7 LMNA 1846/4885AKR1C1 2591/4885HSD11B1 2053/4885

“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.