SCHEMBL3767951

SCHEMBL3767951

Cc1ccccc1OC(C)C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
PARP1 P09874 1/20 0.43
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3766137 0.92 LMNA (0.48) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL3779475 0.89 ALDH1A1 (0.54) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL3767216 0.87 KDM4E (0.52) KMT2AHTTNPSR1HRH3MAPT
SCHEMBL3765633 0.83 KDM4E (0.56) MEN1KMT2ANPSR1SMN1; SMN2HRH3
SCHEMBL3762902 0.82 SMN1; SMN2 (0.56) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL3767725 0.81 HRH3 (0.49) KMT2AHTTNPSR1LMNASMN1; SMN2
SCHEMBL3774785 0.81 ALDH1A1 (0.44) MEN1KMT2AHTTNPSR1HRH3
SCHEMBL3773850 0.80 MEN1 (0.47) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL3772003 0.80 CCR3 (0.55) MEN1KMT2AHTTNPSR1KDM4E
SCHEMBL3774139 0.78 EPHX2 (0.49) MEN1KMT2AHRH3HPGDALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 MEN1 3270/4885KMT2A 242/4885HTT 608/4885

“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.