SCHEMBL6926598

SCHEMBL6926598

O=c1n(CCCCO)ccn1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CYBB P04839 2/20 0.33
NOX4 Q9NPH5 2/20 0.33
ABCB1 P08183 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 3/20 0.33
IL4I1 Q96RQ9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20858655 0.70 GSK3A (0.42) CCNE1CDK2ALDH1A1KDM4EMEN1
SCHEMBL4622919 0.61 LMNA (0.40) CCNE1CDK2KDM4ELMNAKMT2A
SCHEMBL9120305 0.60 ALDH1A1 (0.40) GLAPOLBALDH1A1KDM4EMEN1
SCHEMBL24205248 0.60 GSK3A (0.39) CNR2ALDH1A1KDM4EMEN1RGS12
SCHEMBL1574229 0.59 CYP11B2 (0.33) POLBALDH1A1
Hydrochloric Acid SCHEMBL20603062 0.59 PI4KA (0.33) ALDH1A1KMT2ASMN1; SMN2
Carbon Monoxide SCHEMBL8152719 0.58 ALDH1A1 (0.34) GLAPOLBALDH1A1KDM4EMEN1
SCHEMBL4226383 0.58 SLC18A3 (0.32) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2032325 0.57 ALDH1A1 (0.43) CNR2ALDH1A1KDM4EMEN1RGS12
Hydrochloric Acid SCHEMBL2801614 0.57 PI4KA (0.33) GLAPOLBALDH1A1KMT2ASMN1; SMN2

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
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 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-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D CCNE1 1166/4885CDK2 1162/4885CYBB 2487/4885

“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.