SCHEMBL4557549

SCHEMBL4557549

O=C(C(=O)N(F)c1ccccc1F)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
HRH4 Q9H3N8 2/20 0.41
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ABCC1 P33527 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
REN P00797 4/20 0.34
DPP4 P27487 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL4559136 0.81 SIGMAR1 (0.50) SIGMAR1HRH4POLBRXFP1USP2
SCHEMBL4559858 0.71 SIGMAR1 (0.43) SIGMAR1HRH4POLBRXFP1USP2
SCHEMBL4559728 0.70 SIGMAR1 (0.51) SIGMAR1HRH4POLBRXFP1USP2
SCHEMBL4559135 0.70 SMN1; SMN2 (0.51) SIGMAR1POLBALDH1A1TSHRHSD17B10
SCHEMBL4468180 0.69 RXFP1 (0.66) SIGMAR1POLBRXFP1ALDH1A1TSHR
SCHEMBL4558443 0.69 SIGMAR1 (0.50) SIGMAR1HRH4POLBRXFP1USP2
Hydrochloric Acid SCHEMBL4460573 0.68 RXFP1 (0.64) SIGMAR1POLBRXFP1ALDH1A1TSHR
SCHEMBL4559522 0.68 SIGMAR1 (0.43) SIGMAR1ALDH1A1TSHRREN
SCHEMBL937500 0.67 LMNA (0.71) SIGMAR1HRH4RXFP1ALDH1A1TSHR
SCHEMBL3349691 0.67 TDP1 (0.42) ALDH1A1

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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 SIGMAR1 218/4885HRH4 39/4885POLB 1210/4885

“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.