SCHEMBL3773282

SCHEMBL3773282

COc1cc(Br)c(CC(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.43
P2RX7 Q99572 1/20 0.43
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 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
SCHEMBL3773681 0.86 KDM4E (0.55) CCR3KMT2AALDH1A1KDM4ETSHR
SCHEMBL3773641 0.83 KMT2A (0.64) CCR3KMT2AALDH1A1KDM4ETSHR
SCHEMBL3774233 0.82 RAB9A (0.57) KMT2AALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL3780644 0.82 ALDH1A1 (0.55) KMT2AALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL3780606 0.82 HTT (0.57) KMT2APKMALDH1A1KDM4ETSHR
SCHEMBL3762868 0.81 TDP1 (0.43) KMT2AALDH1A1KDM4ETSHRRAB9A
SCHEMBL3762871 0.81 TDP1 (0.43) KMT2AALDH1A1KDM4ETSHRRAB9A
SCHEMBL3768296 0.81 KMT2A (0.49) KMT2AALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL3779383 0.80 KMT2A (0.52) CCR3KMT2AALDH1A1KDM4ESIGMAR1
SCHEMBL3770806 0.80 HRH3 (0.48) CCR3KMT2AALDH1A1KDM4ETSHR

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 CCR3 191/4885P2RX7 1081/4885KMT2A 242/4885

“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.