SCHEMBL4154069

SCHEMBL4154069

CN(CC1CCCCN1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
CYP2D6 P10635 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB11 O95342 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MLNR O43193 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL9119096 0.98 CYP2D6 (0.40) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL9122106 0.98 CYP2D6 (0.40) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL14380898 0.96 CYP2D6 (0.39) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL9121275 0.94 CYP2D6 (0.40) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL6692745 0.88 GHSR (0.33) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL6697562 0.88 GHSR (0.33) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL6695910 0.88 GHSR (0.33) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL9824081 0.86 FDPS (0.38) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL10508135 0.86 FDPS (0.38) LMNACYP2D6MEN1TP53KMT2A
SCHEMBL9730561 0.82 CYP2D6 (0.47) LMNACYP2D6MEN1TP53KMT2A

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 11 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-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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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
EP-0344543-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1992-07-22 EP disclosed
US-5006522-A Vagal pacemaker for treatment of bradycardia or radyarrhythmia KARL THOMAE GMBH (DE) 1991-04-09 US disclosed
EP-0344543-A2 Condensed diazepinones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-12-06 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed
US-4550107-A Condensed diazepinones, their compositions and methods of use as pharmaceuticals DR. KARL THOMAE GMBH (DE) 1985-10-29 US disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 EP 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 (3 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 LMNA 2898/4885CYP2D6 248/4885MEN1 1667/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 LMNA 774/4885CYP2D6 87/4885MEN1 474/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 LMNA 323/4885CYP2D6 71/4885MEN1 407/4885

“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.