SCHEMBL3774650

SCHEMBL3774650

O=C(CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GPR183 P32249 3/20 0.47
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3767740 0.85 ALDH1A1 (0.59) HRH3HPGDALDH1A1TSHR
SCHEMBL3762910 0.80 ALDH1A1 (0.54) HRH3L3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL3765288 0.79 HRH3 (0.53) HRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL3768037 0.79 HRH3 (0.55) HRH3L3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL3761199 0.78 ALDH1A1 (0.64) SMN1; SMN2L3MBTL1HPGDALDH1A1TSHR
SCHEMBL3768122 0.78 L3MBTL3 (0.57) HRH3SMN1; SMN2L3MBTL3L3MBTL1HPGD
SCHEMBL1017553 0.78 HRH3 (0.50) HRH3L3MBTL3L3MBTL1HPGDALDH1A1
SCHEMBL3766156 0.77 USP2 (0.62) HRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL3774758 0.77 HRH3 (0.63) HRH3SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL3774012 0.77 L3MBTL1 (0.61) HRH3L3MBTL3L3MBTL1ALDH1A1

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 6 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

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 HRH3 2/4885SMN1; SMN2 4282/4885GPR183 59/4885

“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.