SCHEMBL7700554

SCHEMBL7700554

CC(C)N1CCC(C(O)c2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IDH1 O75874 1/20 0.46
KDM4E B2RXH2 4/20 0.45
KCNA5 P22460 5/20 0.44
KCNE1 P15382 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16488078 0.85 TP53 (0.51) TP53MAPTMEN1KMT2AIDH1
SCHEMBL16384693 0.82 KCNA5 (0.44) TP53MAPTIDH1KDM4EKCNA5
SCHEMBL21742088 0.82 TP53 (0.53) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL12026501 0.81 TP53 (0.48) TP53MAPTMEN1KMT2AIDH1
Hydrochloric Acid SCHEMBL25222985 0.81 TP53 (0.51) TP53MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL25222983 0.81 TP53 (0.51) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL16230438 0.80 KCNA5 (0.42) TP53MAPTIDH1KDM4EKCNA5
SCHEMBL21742249 0.79 TP53 (0.50) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL25087413 0.79 TP53 (0.50) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL21742262 0.79 TP53 (0.50) TP53MAPTMEN1KMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TP53 4835/4885MAPT 1808/4885MEN1 2975/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TP53 4835/4885MAPT 1808/4885MEN1 2975/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TP53 4835/4885MAPT 1808/4885MEN1 2975/4885

“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.