SCHEMBL3774510

SCHEMBL3774510

COc1ccc2cc(-c3cnc(N4CCN(CC(=O)N5CCN(C6CCC6)CC5)CC4)cn3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM2B Q8NHM5 6/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL3768158 0.92 HRH3 (0.52) HRH3ACHEALDH1A1TSHRKMT2A
SCHEMBL3768926 0.91 HRH3 (0.51) HRH3ACHEALDH1A1TSHRKMT2A
SCHEMBL3776087 0.91 HRH3 (0.47) HRH3ALDH1A1TSHRMAPK1MAPT
SCHEMBL3771050 0.88 HSD17B10 (0.46) HRH3ALDH1A1TSHRKMT2AMAPK1
SCHEMBL3767881 0.87 HRH3 (0.47) HRH3ACHEALDH1A1TSHRKMT2A
SCHEMBL3773918 0.87 HRH3 (0.48) HRH3ACHEALDH1A1TSHRKMT2A
SCHEMBL3769983 0.87 HRH3 (0.50) HRH3ALDH1A1TSHRKMT2ARAB9A
SCHEMBL3771180 0.87 HRH3 (0.42) HRH3ACHEALDH1A1TSHRMAPK1
SCHEMBL3779351 0.87 HRH3 (0.48) HRH3ACHEALDH1A1TSHRKMT2A
SCHEMBL3804836 0.86 ALDH1A1 (0.46) HRH3ACHEALDH1A1KMT2AMAPK1

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 HRH3 2/4885ACHE 2020/4885ALDH1A1 1210/4885

“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.