SCHEMBL20116430

SCHEMBL20116430

CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5ccccc5F)CC4)n3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 6/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
SMO Q99835 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
TP53 P04637 1/20 0.44
TUBB4A P04350 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
SCHEMBL22357857 0.90 HSD11B1 (0.54) GRM5ALDH1A1NPSR1TSHRLMNA
SCHEMBL20116433 0.90 ALDH1A1 (0.51) GRM5ALDH1A1NPSR1TSHRLMNA
SCHEMBL22357882 0.89 SMN1; SMN2 (0.54) ALDH1A1NPSR1TSHRLMNASMN1; SMN2
SCHEMBL20116373 0.87 GRM5 (0.55) GRM5ALDH1A1NPSR1TSHRLMNA
SCHEMBL22357867 0.87 RAB9A (0.56) GRM5ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL22357915 0.85 SMN1; SMN2 (0.56) GRM5ALDH1A1NPSR1TSHRLMNA
SCHEMBL20116364 0.85 SMN1; SMN2 (0.44) GRM5ALDH1A1NPSR1TSHRLMNA
SCHEMBL22358275 0.85 SMN1; SMN2 (0.48) ALDH1A1NPSR1TSHRLMNASMN1; SMN2
SCHEMBL22357997 0.84 HTT (0.55) ALDH1A1NPSR1TSHRLMNASMN1; SMN2
SCHEMBL22358006 0.84 NPSR1 (0.47) GRM5ALDH1A1NPSR1TSHRLMNA

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 GRM5 68/4885ALDH1A1 656/4885NPSR1 386/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885ALDH1A1 656/4885NPSR1 386/4885

“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.