SCHEMBL4520123

SCHEMBL4520123

OC(CN1CCN(c2ccccc2OCC(F)(F)C(F)F)CC1)CN1CC2CC=CCC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
CACNA1G O43497 1/20 0.48
MAPT P10636 7/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HIF1A Q16665 2/20 0.44
TP53 P04637 2/20 0.44
ADRA1B P35368 2/20 0.44
NR1I2 O75469 1/20 0.44
NR3C1 P04150 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL4526563 0.85 HTR1A (0.46) KCNH2CACNA1GADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL4514908 0.84 HTR1A (0.47) KCNH2CACNA1GADRA1BHTR1ADRD2
SCHEMBL4526501 0.77 HTR1A (0.47) KCNH2CACNA1GADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL4531915 0.76 HTR1A (0.48) KCNH2CACNA1GADRA1BHTR1ADRD2
SCHEMBL5422362 0.73 HTR7 (0.51) ALDH1A1MEN1KMT2AKDM4EHIF1A
Hydrochloric Acid SCHEMBL5434397 0.72 HTR7 (0.50) ALDH1A1MEN1KMT2AKDM4EHIF1A
Hydrochloric Acid SCHEMBL6210660 0.70 HTR1A (0.50) KCNH2CACNA1GMAPTALDH1A1LMNA
SCHEMBL5157903 0.69 HTR1A (0.48) KCNH2CACNA1GMAPTLMNAADRA1B
SCHEMBL18036657 0.69 L3MBTL1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6210504 0.68 HTR1A (0.61) ALDH1A1KDM4EADRA1BHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed

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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A KCNH2 810/4885CACNA1G 1797/4885MAPT 1842/4885

“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.