SCHEMBL22358342

SCHEMBL22358342

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CCCCO)CC4)n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.51
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL22358096 0.93 NR1H4 (0.46) NR1H4LMNATSHRSMN1; SMN2CYP1A2
SCHEMBL22358351 0.91 KCNH2 (0.47) NR1H4CYP1A2POLBCYP3A4CYP2D6
SCHEMBL22357937 0.88 LMNA (0.47) NR1H4LMNATSHRSMN1; SMN2ALOX15
SCHEMBL20117095 0.88 ALDH1A1 (0.46) NR1H4LMNASMN1; SMN2POLBCYP3A4
SCHEMBL20117136 0.87 TLR9 (0.52) NR1H4LMNATSHRSMN1; SMN2ALOX15
SCHEMBL22358169 0.87 LMNA (0.52) NR1H4LMNATSHRSMN1; SMN2POLB
SCHEMBL22358188 0.86 SMN1; SMN2 (0.46) NR1H4LMNATSHRSMN1; SMN2ALOX15
SCHEMBL22358347 0.86
SCHEMBL22357896 0.85 CPT1A (0.49) NR1H4LMNATSHRALOX15MAPK1
SCHEMBL22357909 0.84 SMN1; SMN2 (0.46) NR1H4LMNATSHRSMN1; SMN2HTT

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 2 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-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 NR1H4 1341/4885LMNA 1966/4885TSHR 4679/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR1H4 1341/4885LMNA 1966/4885TSHR 4679/4885

“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.