SCHEMBL3765386

SCHEMBL3765386

CCC(C)N1CCN(C(=O)CN2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.45
ADAMTS5 Q9UNA0 6/20 0.45
ADAM17 P78536 5/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ADAMTS4 O75173 2/20 0.43
ADAM10 O14672 1/20 0.43
MMP12 P39900 1/20 0.43
ADAM9 Q13443 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 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
SCHEMBL3767262 0.89 SMN1; SMN2 (0.67) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL13005311 0.89 SMN1; SMN2 (0.54) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3780583 0.89 MEN1 (0.69) SMN1; SMN2MEN1TSHRKMT2APKM
SCHEMBL3765245 0.86 RAB9A (0.55) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3767522 0.84 CCR1 (0.52) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3768253 0.84 MAPT (0.72) SMN1; SMN2MEN1KMT2APKMNPSR1
SCHEMBL3768910 0.83 MAPT (0.56) SMN1; SMN2GFERKMT2APKMNPSR1
SCHEMBL3772008 0.82 CCR1 (0.59)
SCHEMBL3777260 0.82 NPSR1 (0.49) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3768311 0.82 USP2 (0.57) SMN1; SMN2MEN1TSHRKMT2ANPSR1

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 SMN1; SMN2 4282/4885GFER 3130/4885MEN1 3270/4885

“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.