SCHEMBL26522941

SCHEMBL26522941

CCCCCCCCN1CCNC[C@H]1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
GNAO1 P09471 10/20 0.38
GNAI3 P08754 9/20 0.38
GNAI1 P63096 9/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.35
GBA1 P04062 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27613286 1.00 BCHE (0.43) BCHEGNAO1GNAI3GNAI1USP2
SCHEMBL28296736 0.98 BCHE (0.40) BCHEGNAO1GNAI3GNAI1USP2
SCHEMBL1072560 0.94 NR1I2 (0.36) BCHEGNAO1GNAI3GNAI1USP2
SCHEMBL27663007 0.81 GNAO1 (0.35) GNAO1GNAI3GNAI1GBA1S1PR4
SCHEMBL14437894 0.81 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL30306891 0.81 GNAI3 (0.50) BCHEGNAO1GNAI3GNAI1
SCHEMBL293862 0.79 GNAO1 (0.39) GNAO1GNAI3GNAI1GBA1S1PR4
SCHEMBL10983481 0.77 BCHE (0.56) BCHESMN1; SMN2POLBGBA1S1PR4
SCHEMBL8501215 0.77 BCHE (0.56) BCHESMN1; SMN2POLBGBA1S1PR4
SCHEMBL16618489 0.77 BCHE (0.56) BCHESMN1; SMN2POLBGBA1S1PR4

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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 BCHE 1964/4885GNAO1 4589/4885GNAI3 3978/4885

“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.