SCHEMBL3767522

SCHEMBL3767522

CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Cl)c(C)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.52
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
GFER P55789 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL3765245 0.91 RAB9A (0.55) CCR1MEN1TSHRKMT2AGFER
SCHEMBL3761235 0.90 CCR1 (0.54) CCR1MEN1TSHRKMT2AGFER
SCHEMBL3777260 0.90 NPSR1 (0.49) MEN1TSHRKMT2AGFERSMN1; SMN2
SCHEMBL3772008 0.88 CCR1 (0.59) CCR1
SCHEMBL3773724 0.87 CCR1 (0.57) CCR1MEN1TSHRKMT2AGFER
SCHEMBL3762702 0.86 MAPT (0.49) CCR1MEN1TSHRKMT2AGFER
SCHEMBL3767262 0.85 SMN1; SMN2 (0.67) MEN1TSHRKMT2AGFERSMN1; SMN2
SCHEMBL3780583 0.85 MEN1 (0.69) MEN1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL3765386 0.84 SMN1; SMN2 (0.51) MEN1TSHRKMT2AGFERSMN1; SMN2
SCHEMBL3768910 0.84 MAPT (0.56) CCR1KMT2AGFERSMN1; SMN2PKM

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 CCR1 606/4885MEN1 3270/4885TSHR 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.