SCHEMBL4160352

SCHEMBL4160352

[CH2]CC(=O)NCCCN1CCCC1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL9851181 0.86 KMT2A (0.58) MAPK1KMT2ARAB9ANPC1MEN1
SCHEMBL6359808 0.85 RAB9A (0.60) MAPK1KMT2ARAB9ANPC1MEN1
SCHEMBL425351 0.84 SMN1; SMN2 (0.57) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL11479783 0.84 KMT2A (0.67) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL5656878 0.83 RAB9A (0.61) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL9702275 0.82 MAPK1 (0.62) MAPK1KMT2ARAB9ANPC1MEN1
SCHEMBL425352 0.81 RAB9A (0.60) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL14538077 0.81 KDM4E (0.57) MAPK1KMT2ARAB9ANPC1MEN1
SCHEMBL24649557 0.81 KMT2A (0.53) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21998656 0.79 MAPK1 (0.56) MAPK1KMT2ARAB9ANPC1MEN1

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
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 claimed
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 claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (2 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 MAPK1 1183/4885KMT2A 4720/4885RAB9A 1983/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 MAPK1 2155/4885KMT2A 4761/4885RAB9A 1969/4885

“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.