SCHEMBL10192108

SCHEMBL10192108

CC1CCN(CCCOC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.51
MAOB P27338 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
KDM4E B2RXH2 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL19700573 0.89 HRH3 (0.45) HRH3MAOBSIGMAR1HRH2HRH1
SCHEMBL19700578 0.89 HRH3 (0.45) HRH3MAOBSIGMAR1HRH2HRH1
SCHEMBL19700572 0.89 HRH3 (0.45) HRH3MAOBSIGMAR1HRH2HRH1
SCHEMBL824023 0.89 CARM1 (0.47) HRH3MAOBSIGMAR1KDM4ERECQL
SCHEMBL26972452 0.84 HRH3 (0.40) HRH3MAOB
SCHEMBL10025517 0.84 GNAI3 (0.51) HRH3MAOBSIGMAR1HRH2HRH1
SCHEMBL21667849 0.80 HRH3 (0.45) HRH3MAOBMEN1KMT2AALDH1A1
SCHEMBL823898 0.80 HRH3 (0.49) HRH3MAOBMEN1KMT2AALDH1A1
SCHEMBL26787071 0.80 HRH3 (0.55) HRH3MAOBKDM4EHRH2HRH1
SCHEMBL26787061 0.80 HRH3 (0.55) HRH3MAOBKDM4EHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 HRH3 1601/4885MAOB 558/4885SIGMAR1 2239/4885

“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.