SCHEMBL17724136

SCHEMBL17724136

Cc1cc(CN2CC(C)OC(C)C2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.56
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD4 P21917 3/20 0.45
TMEM97 Q5BJF2 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
GRM2 Q14416 2/20 0.43
HTT P42858 2/20 0.43
CYP2A13 Q16696 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR183 P32249 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL17724134 0.88 PDE1B (0.46) PDE1BKDM4ETDP1DRD4GRM2
SCHEMBL23939259 0.84 KDM4E (0.47) PDE1BKDM4ETDP1SIGMAR1GRM2
SCHEMBL19532828 0.81 SIGMAR1 (0.46) PDE1BKDM4ETDP1DRD4SIGMAR1
SCHEMBL20605214 0.81 KDM4E (0.45) PDE1BKDM4ETDP1GRM2HTT
SCHEMBL19532826 0.78 SIGMAR1 (0.46) PDE1BKDM4ETDP1DRD4SIGMAR1
SCHEMBL12383 0.77 ALDH1A1 (0.55) KDM4ETDP1SIGMAR1HTTCYP2A13
SCHEMBL17724130 0.75 HRH3 (0.54) KDM4EHTTCYP2A13ALDH1A1GPR183
SCHEMBL24746120 0.74 ALDH1A1 (0.72) KDM4EDRD4TMEM97SIGMAR1HTT
SCHEMBL4480082 0.73 KDM4E (0.56) PDE1BKDM4ETDP1GRM2HTT
SCHEMBL4480084 0.73 KDM4E (0.56) PDE1BKDM4ETDP1GRM2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 EP disclosed
EP-3643709-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2020-04-29 EP disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 US disclosed
EP-3214081-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2017-09-06 EP disclosed
WO-2016065980-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 康朴生物医药技术(上海)有限公司 2016-05-06 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 (1 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-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 PDE1B 2668/4885KDM4E 4086/4885TDP1 3045/4885

“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.