SCHEMBL3762986

SCHEMBL3762986

O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.50
HRH3 Q9Y5N1 2/20 0.50
KCNH2 Q12809 1/20 0.50
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.43
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3762991 1.00 GPR183 (0.50) GPR183HRH3KCNH2LMNAHPGD
SCHEMBL3765623 0.89 ALDH1A1 (0.58) GPR183HRH3LMNAALDH1A1KMT2A
SCHEMBL3765617 0.89 ALDH1A1 (0.58) GPR183HRH3LMNAALDH1A1KMT2A
SCHEMBL3765937 0.88 CCR2 (0.51) KCNH2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3765932 0.88 CCR2 (0.51) KCNH2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3767721 0.86 MEN1 (0.56) GPR183HRH3GAASMN1; SMN2MEN1
SCHEMBL3767727 0.86 MEN1 (0.56) GPR183HRH3GAASMN1; SMN2MEN1
SCHEMBL3773866 0.86 MEN1 (0.56) GPR183LMNAHPGDGAAALDH1A1
SCHEMBL3773864 0.86 MEN1 (0.56) GPR183LMNAHPGDGAAALDH1A1
SCHEMBL3761251 0.84 KDM4E (0.50) GPR183HRH3LMNAGAAALDH1A1

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 2 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-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US 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 GPR183 59/4885HRH3 2/4885KCNH2 130/4885

“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.