SCHEMBL4144366

SCHEMBL4144366

[CH2]CC(=O)NC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.59
POLB P06746 1/20 0.53
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
CHRM3 P20309 2/20 0.46
CHRM5 P08912 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.40
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL6527919 0.88 KDM1A (0.46) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL4154049 0.84
SCHEMBL5106542 0.81 EPHX1 (0.61) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL29256270 0.80
SCHEMBL4154162 0.80 SMN1; SMN2 (0.61) EPHX1EPHX2SMN1; SMN2HPGDKMT2A
SCHEMBL27533690 0.79 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL31314544 0.79 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL28130497 0.79 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL617591 0.79 GNAI3 (0.62) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL1415979 0.78 EPHX1 (0.61) EPHX1POLBEPHX2SMN1; SMN2HPGD

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 EPHX1 1415/4885POLB 805/4885GNAI3 1420/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 EPHX1 1522/4885POLB 649/4885GNAI3 617/4885

“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.