SCHEMBL8320841

SCHEMBL8320841

CCN(CC)C(=O)C1CCCCN1C(=O)c1cc2ncnc(NC(C)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CCR1 P32246 2/20 0.36
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.33
GRM5 P41594 1/20 0.33
EGFR P00533 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRCP P42785 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
F2 P00734 2/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
HCRTR2 O43614 2/20 0.31
HCRTR1 O43613 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 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
SCHEMBL4144511 1.00 LMNA (0.38) LMNACCR1TP53ALOX15SMN1; SMN2
SCHEMBL4144508 1.00 LMNA (0.38) LMNACCR1TP53ALOX15SMN1; SMN2
SCHEMBL13772326 0.90 EGFR (0.37) LMNACCR1TP53EGFRALDH1A1
SCHEMBL4154659 0.90 EGFR (0.37) LMNACCR1TP53EGFRALDH1A1
SCHEMBL4154657 0.90 EGFR (0.37) LMNACCR1TP53EGFRALDH1A1
SCHEMBL4149612 0.89 KMT2A (0.39) LMNASMN1; SMN2HSD11B1EGFRALDH1A1
SCHEMBL4149610 0.89 KMT2A (0.39) LMNASMN1; SMN2HSD11B1EGFRALDH1A1
SCHEMBL8323943 0.89 KMT2A (0.39) LMNASMN1; SMN2HSD11B1EGFRALDH1A1
SCHEMBL8322556 0.89 HSD11B1 (0.37) LMNAHSD11B1GRM5EGFRALDH1A1
SCHEMBL4158300 0.89 HSD11B1 (0.37) LMNAHSD11B1GRM5EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 LMNA 323/4885CCR1 2023/4885TP53 4746/4885

“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.