SCHEMBL3773971

SCHEMBL3773971

O=C(CN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.48
GFER P55789 1/20 0.48
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCR1 P32246 2/20 0.45
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
SCHEMBL3773770 0.99 NOTUM (0.49) NOTUMMAPTLMNATP53SMN1; SMN2
SCHEMBL3765450 0.98 NOTUM (0.50) NOTUMMAPTLMNATP53SMN1; SMN2
SCHEMBL3771181 0.91 MAPT (0.49) NOTUMMAPTLMNATP53SMN1; SMN2
SCHEMBL3766241 0.89 NOTUM (0.47) NOTUMMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3767483 0.88 NOTUM (0.47) NOTUMMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3761217 0.87 SMN1; SMN2 (0.54) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL3768285 0.87 NOTUM (0.47) NOTUMMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3774022 0.86 SMN1; SMN2 (0.53) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL3773428 0.85 SMN1; SMN2 (0.54) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL3769015 0.85 CCR1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1MEN1

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 NOTUM 2023/4885MAPT 1475/4885LMNA 2902/4885

“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.