SCHEMBL19542004

SCHEMBL19542004

CC(C)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
HRH3 Q9Y5N1 4/20 0.50
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NCF1 P14598 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 3/20 0.45
CYP2A13 Q16696 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSP90AA1 P07900 1/20 0.44
KCNH2 Q12809 1/20 0.44
NOS1 P29475 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
SCHEMBL21925208 0.88 MAPT (0.58) MAPTHRH3HTTSMN1; SMN2NCF1
SCHEMBL21776343 0.86 ALDH1A1 (0.63) MAPTHRH3HTTSMN1; SMN2NCF1
SCHEMBL24302659 0.82 MAPT (0.43) MAPTHTTALDH1A1TSHR
SCHEMBL12295183 0.82 MAPT (0.62) MAPTHRH3HTTSMN1; SMN2NCF1
SCHEMBL17724130 0.80 HRH3 (0.54) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL8257960 0.80 HRH3 (0.54) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL21924136 0.80 MAPT (0.49) MAPTHRH3HTTSMN1; SMN2NCF1
SCHEMBL13122710 0.79 MAPT (0.55) MAPTHRH3HTTSMN1; SMN2NCF1
SCHEMBL1552775 0.78 HRH3 (0.61) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL20605142 0.78 HRH3 (0.51) MAPTHRH3HTTSMN1; SMN2NCF1

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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 US disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 MAPT 1185/4885HRH3 1625/4885HTT 1981/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 MAPT 1185/4885HRH3 1625/4885HTT 1981/4885

“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.