SCHEMBL4449084

SCHEMBL4449084

CCCCCC(C(=O)OCC)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 13/20 0.43
TMEM97 Q5BJF2 6/20 0.43
SIGMAR1 Q99720 5/20 0.43
DRD5 P21918 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRB3 P13945 4/20 0.43
DRD1 P21728 3/20 0.43
ADRA1B P35368 3/20 0.43
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
AGTR1 P30556 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ADRA2A P08913 2/20 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
SCHEMBL478090 0.87 PSEN1 (0.53) P2RY14TMEM97SIGMAR1DRD5ADRA2B
SCHEMBL3658054 0.85 P2RY14 (0.42) P2RY14PSEN1PSEN2APH1BNCSTN
SCHEMBL4457444 0.80 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478025 0.79 PSEN1 (0.53) P2RY14TMEM97SIGMAR1DRD5ADRA2B
SCHEMBL478232 0.78 PSEN1 (0.50) P2RY14TMEM97SIGMAR1ADRB3PSEN1
SCHEMBL4449081 0.78 P2RY14 (0.46) P2RY14TMEM97SIGMAR1DRD5ADRA2B
SCHEMBL478077 0.78 PSEN1 (0.69) P2RY14TMEM97SIGMAR1DRD5ADRA2B
SCHEMBL12012810 0.78 PSEN1 (0.56) P2RY14TMEM97SIGMAR1DRD5ADRA2B
SCHEMBL2897136 0.77 PSEN1 (0.45) P2RY14DRD5DRD1DRD3PSEN1
SCHEMBL12013338 0.76 CTSL (0.46) P2RY14TMEM97SIGMAR1DRD5ADRA2B

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-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 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-20090306392-A1 GSM INTERMEDIATES BACE1, GSAP, PSEN1 P2RY14 3481/4885TMEM97 2333/4885SIGMAR1 4269/4885

“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.