SCHEMBL15095885

SCHEMBL15095885

NC1(C(=O)O)CCCCCCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
GRM4 Q14833 8/20 0.44
CYP2C19 P33261 5/20 0.44
CYP1A2 P05177 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GRM8 O00222 2/20 0.44
GRM6 O15303 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
LMNA P02545 2/20 0.43
GRM5 P41594 1/20 0.43
MTOR P42345 1/20 0.43

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
Cycloleucine SCHEMBL1704308 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL59793 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL8981098 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL744894 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL21423145 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL60473 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL62221 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL1321302 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Methane SCHEMBL11142076 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL21497076 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1

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-10787450-B2 Spiro-fused cyclic ureas as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-29 US disclosed
US-20190300528-A1 SPIRO-FUSED CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-03 US disclosed
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 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 (2 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-10787450-B2 Spiro-fused cyclic ureas as inhibitors of rock MYLK, ROCK1, UACA NSD2 3659/4885GRM4 4125/4885CYP2C19 3564/4885
US-20190300528-A1 SPIRO-FUSED CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA NSD2 3659/4885GRM4 4125/4885CYP2C19 3564/4885

“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.