SCHEMBL17442425

SCHEMBL17442425

CC(CN(C)C)Oc1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GABRA5 P31644 2/20 0.34
CHEK1 O14757 4/20 0.33
CHEK2 O96017 1/20 0.33
KCNH2 Q12809 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD1 P21728 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
HRH1 P35367 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL21284378 0.81 GABRA5 (0.44) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL21274352 0.81 GABRA5 (0.44) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL21284379 0.81 GABRA5 (0.44) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL16498052 0.79 MCHR1 (0.35) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL18548350 0.79 GBA1 (0.39) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL27204505 0.79 GBA1 (0.39) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL16498051 0.79 MCHR1 (0.35) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL735634 0.77 ALDH1A1 (0.49) GBA1ALDH1A1KDM4EGABRA5GABRP
SCHEMBL8781781 0.74 GBA1 (0.39) GBA1ALDH1A1KDM4EGABRA5ADRA2B
SCHEMBL13033018 0.74 MCHR1 (0.41) ALDH1A1KDM4ECHRM2CHRM1DRD1

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-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 GBA1 1326/4885ALDH1A1 4748/4885KDM4E 3505/4885

“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.