SCHEMBL3768296

SCHEMBL3768296

COc1cc(CC(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL3780606 0.88 HTT (0.57) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL3780656 0.87 KMT2A (0.63) KMT2AALDH1A1KDM4EHSD17B10POLB
SCHEMBL3767694 0.87 ALDH1A1 (0.52) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL3765286 0.84 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EMEN1CYP2C9
SCHEMBL3777237 0.82 SMN1; SMN2 (0.64) KMT2AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3779383 0.82 KMT2A (0.52) KMT2AALDH1A1KDM4EMEN1ALOX15
SCHEMBL3761169 0.82 ACVR1 (0.46) KMT2AALDH1A1KDM4EMEN1ALOX15
SCHEMBL3773282 0.81 CCR3 (0.43) KMT2AALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL3770061 0.81 SIGMAR1 (0.63) KMT2AALDH1A1KDM4EMEN1TSHR
SCHEMBL3773641 0.80 KMT2A (0.64) KMT2AALDH1A1KDM4EMEN1TSHR

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 KMT2A 242/4885ALDH1A1 1210/4885KDM4E 534/4885

“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.