SCHEMBL3780583

SCHEMBL3780583

CCC(C)N1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TSHR P16473 2/20 0.69
HTR1A P08908 4/20 0.59
HTR7 P34969 3/20 0.59
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL3770042 0.90 MEN1 (0.73) MEN1KMT2ATSHRHTR1AHTR7
SCHEMBL3776081 0.89 ALDH1A1 (0.54) MEN1KMT2ATSHRHTR1AHTR7
SCHEMBL3765386 0.89 SMN1; SMN2 (0.51) MEN1KMT2ATSHRHTR1AHTR7
SCHEMBL3773921 0.88 MAPT (0.53) MEN1KMT2ATSHRHTR1AHTR7
SCHEMBL3767262 0.87 SMN1; SMN2 (0.67) MEN1KMT2ATSHRHTR1AHTR7
SCHEMBL3768253 0.87 MAPT (0.72) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL3767437 0.87 GFER (0.59) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL3765245 0.87 RAB9A (0.55) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL3765308 0.85 POLB (0.58) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL3767522 0.85 CCR1 (0.52) MEN1KMT2ATSHRALDH1A1NPSR1

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 242/4885TSHR 436/4885

“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.