SCHEMBL22357992

SCHEMBL22357992

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CC(C)(C)C)C4)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRM5 P41594 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL22358188 0.95 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL22358124 0.93 GRM5 (0.44) GRM5
SCHEMBL22358216 0.87 LMNA (0.47) SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL20116451 0.87 LMNA (0.45) SMN1; SMN2TSHRALDH1A1HTTLMNA
SCHEMBL22358218 0.87 GPR119 (0.44) SMN1; SMN2GRM5TSHRHTTLMNA
SCHEMBL22357886 0.87 GPR119 (0.44) SMN1; SMN2GRM5TSHRHTTLMNA
SCHEMBL22358020 0.87 GPR119 (0.44) SMN1; SMN2GRM5TSHRHTTLMNA
SCHEMBL20116368 0.85 USP30 (0.42) SMN1; SMN2TSHRALDH1A1HTTLMNA
SCHEMBL22357937 0.84 LMNA (0.47) SMN1; SMN2TSHRLMNA
SCHEMBL20117095 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HTTLMNAPOLB

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-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

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 SMN1; SMN2 13/4885NPC1 72/4885RAB9A 2129/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885NPC1 72/4885RAB9A 2129/4885

“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.