SCHEMBL7644458

SCHEMBL7644458

CCN1CCN(CCCN(C)C)CC1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
PIM1 P11309 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
DNM1 Q05193 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL9434876 0.91 ALOX15 (0.50) ALOX15PIM1ALDH1A1TSHRDNM1
SCHEMBL27699518 0.91
SCHEMBL18871718 0.86 ALOX15 (0.45) ALOX15PIM1ALDH1A1TSHRDNM1
SCHEMBL5986738 0.86 PIM1 (0.38) PIM1ALDH1A1KDM1A
SCHEMBL15401913 0.84 ALOX15 (0.36) ALOX15PIM1
SCHEMBL7029723 0.84 ALOX15 (0.46) ALOX15PIM1ALDH1A1TSHR
SCHEMBL13760479 0.83 ALOX15 (0.42) ALOX15PIM1
SCHEMBL15334615 0.82 ALDH1A1 (0.38) ALOX15PIM1ALDH1A1TSHRKDM1A
SCHEMBL9551161 0.82 ALDH1A1 (0.38) ALOX15PIM1ALDH1A1TSHRKDM1A
SCHEMBL7649942 0.81 HRH3 (0.52) ALOX15ALDH1A1TSHRMAPK1

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
WO-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed
WO-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-6479672-B1 Diastereoselective preparation of Michael adducts MERCK & CO., INC. 2002-11-12 US disclosed
WO-2000061572-A1 DIASTEREOSELECTIVE PREPARATION OF MICHAEL ADDUCTS MERCK & CO., INC. (US) 2000-10-19 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ALOX15 4482/4885PIM1 300/4885ALDH1A1 2884/4885

“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.