SCHEMBL3774288

SCHEMBL3774288

Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
OPRK1 P41145 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR2 P41597 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL3773424 0.94 KMT2A (0.61) KMT2AOPRK1NPC1RAB9AUSP2
SCHEMBL3774347 0.90 SLC6A5 (0.55) KMT2AHRH3MEN1TSHRDRD2
SCHEMBL3765381 0.90 KMT2A (0.46) KMT2ANPC1RAB9AUSP2HRH3
SCHEMBL3774004 0.89 DRD2 (0.51) KMT2AHRH3MEN1POLBHPGD
SCHEMBL3779258 0.89 KMT2A (0.51) KMT2ANPC1RAB9AHRH3MEN1
SCHEMBL3767807 0.89 DRD2 (0.56) KMT2AHRH3MEN1DRD2DRD4
SCHEMBL3769105 0.89 KMT2A (0.51) KMT2AHRH3MEN1LMNADRD2
SCHEMBL3776073 0.89 KMT2A (0.70) KMT2AHRH3MEN1ALDH1A1TSHR
SCHEMBL3771229 0.88 KMT2A (0.50) KMT2AOPRK1HRH3ALDH1A1TSHR
SCHEMBL3762917 0.88 USP2 (0.52) KMT2AOPRK1NPC1RAB9AUSP2

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 242/4885OPRK1 287/4885NPC1 3462/4885

“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.