SCHEMBL4158148

SCHEMBL4158148

CCC1CCCCN1C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13329800 1.00 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4EPSEN1
SCHEMBL31022708 1.00 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4EPSEN1
SCHEMBL12311430 0.94
SCHEMBL6506120 0.94
Hydrochloric Acid SCHEMBL28835154 0.92 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1KDM4EPSEN1
SCHEMBL20456219 0.81 MAPT (0.35) KMT2AMEN1ALDH1A1KDM4EPSEN1
SCHEMBL7693222 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EPSEN1
SCHEMBL15658693 0.81 KMT2A (0.39) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL4149056 0.80 ADH1C (0.34) KMT2AMEN1
SCHEMBL4778290 0.79 POLB (0.44) KMT2AMEN1ALDH1A1RAB9A

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 8 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
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
CN-117986262-A Condensed bicyclic compounds, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-05-07 CN 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-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 KMT2A 4720/4885MEN1 474/4885ALDH1A1 2355/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 KMT2A 4761/4885MEN1 407/4885ALDH1A1 3364/4885

“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.