SCHEMBL22358015

SCHEMBL22358015

O=C(c1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnn(C(F)F)c4c3)no2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.54
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
GRM5 P41594 3/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
SMO Q99835 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
SCHEMBL22357857 0.92 HSD11B1 (0.54) HSD11B1TSHRALDH1A1HTTGRM5
SCHEMBL20116742 0.85 HSD11B1 (0.54) HSD11B1TSHRALDH1A1HTTGRM5
SCHEMBL22358217 0.84 NPSR1 (0.48) TSHRALDH1A1HTTGRM5LMNA
SCHEMBL20116430 0.84 GRM5 (0.54) TSHRALDH1A1HTTGRM5LMNA
SCHEMBL20116833 0.82 SMO (0.51) TSHRALDH1A1HTTLMNASMN1; SMN2
SCHEMBL20116450 0.81 HTT (0.46) TSHRALDH1A1HTTGRM5LMNA
SCHEMBL22357882 0.80 SMN1; SMN2 (0.54) HSD11B1TSHRALDH1A1HTTLMNA
SCHEMBL20116433 0.80 ALDH1A1 (0.51) TSHRALDH1A1HTTGRM5LMNA
SCHEMBL22358216 0.80 LMNA (0.47) TSHRALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL22358171 0.80 GPR119 (0.46) TSHRLMNASMN1; SMN2SMO

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 HSD11B1 1676/4885TSHR 4679/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HSD11B1 1676/4885TSHR 4679/4885ALDH1A1 656/4885

“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.