SCHEMBL20116387

SCHEMBL20116387

CC1(OC(=O)N2CCC(c3nc(-c4ccc5cnn(C6CCOC6)c5c4)no3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.43
GRM5 P41594 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 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
SCHEMBL20116474 0.94 SMO (0.44) SMOSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL20116377 0.90 SMO (0.50) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL22358079 0.90 SMO (0.50) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL20116427 0.90 SMO (0.50) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL20116616 0.89 GPR119 (0.47) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL22358045 0.89 GPR119 (0.47) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL22358299 0.89 GPR119 (0.47) SMOGRM5SMN1; SMN2TUBB4ATUBB
SCHEMBL22358154 0.87 PIK3CD (0.38) SMN1; SMN2LMNAHTTKMT2APIK3CD
SCHEMBL20676578 0.87 PIK3CD (0.38) SMOMAPTPIK3CDCYP2C9
SCHEMBL20116898 0.86 GRM5 (0.43) GRM5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMO 1858/4885GRM5 68/4885SMN1; SMN2 13/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMO 1858/4885GRM5 68/4885SMN1; SMN2 13/4885

“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.