SCHEMBL4841409

SCHEMBL4841409

COC(=O)c1ccc(OCCN)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.53
NOTUM Q6P988 2/20 0.52
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
S1PR1 P21453 3/20 0.45
HTR2A P28223 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
ESRRA P11474 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
P4HB P07237 1/20 0.42
MAPT P10636 3/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
Hydrochloric Acid SCHEMBL4841397 0.99 MRGPRX4 (0.52) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL15662107 0.88 MRGPRX4 (0.54) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL25313061 0.88 KDM4E (0.56) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL16372433 0.86 MRGPRX4 (0.53) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL2018525 0.85 NOTUM (0.56) MRGPRX4NOTUMTHRATHRBKDM4E
SCHEMBL10088909 0.85 NOTUM (0.56) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL27195845 0.84 THRA (0.60) MRGPRX4NOTUMTHRATHRBKDM4E
SCHEMBL30882489 0.83 MRGPRX4 (0.50) MRGPRX4NOTUMTHRATHRBS1PR1
SCHEMBL4841298 0.83 LMNA (0.47) NOTUMTHRATHRBKDM4EHTT
Hydrochloric Acid SCHEMBL4841289 0.82 BCL9 (0.47) NOTUMTHRATHRBKDM4EHTT

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 MRGPRX4 675/4885NOTUM 1464/4885THRA 900/4885

“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.