SCHEMBL3761235

SCHEMBL3761235

Cc1cc(N2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.54
GFER P55789 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3763190 0.91 RAB9A (0.58) CCR1GFERSMN1; SMN2MEN1TSHR
SCHEMBL3767522 0.90 CCR1 (0.52) CCR1GFERSMN1; SMN2MEN1TSHR
SCHEMBL3773777 0.90 ALDH1A1 (0.52) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3773724 0.87 CCR1 (0.57) CCR1GFERSMN1; SMN2MEN1TSHR
SCHEMBL3780578 0.86 CCR1 (0.61) CCR1
SCHEMBL3766290 0.85 MAPT (0.52) CCR1GFERSMN1; SMN2MEN1TSHR
SCHEMBL3769115 0.84 SMN1; SMN2 (0.71) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3770042 0.84 MEN1 (0.73) SMN1; SMN2MEN1TSHRKMT2APKM
SCHEMBL3776078 0.83 MAPT (0.59) CCR1GFERSMN1; SMN2KMT2APKM
SCHEMBL13005311 0.83 SMN1; SMN2 (0.54) GFERSMN1; SMN2MEN1TSHRKMT2A

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 606/4885GFER 3130/4885SMN1; SMN2 4282/4885

“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.