SCHEMBL21705288

SCHEMBL21705288

CN1CCC(COC(=O)c2c(I)cc(I)c(N)c2I)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.50
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
ADRA2C P18825 3/20 0.39
HTR1D P28221 3/20 0.39
HTR2B P41595 3/20 0.39
HTR2C P28335 3/20 0.39
ADRA1B P35368 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 1/20 0.39
HTR3A P46098 3/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL26834855 0.86 HTR4 (0.39) HTR4HDAC1HDAC2HDAC3CHRM3
SCHEMBL21705229 0.82 HTR4 (0.43) HTR4HDAC1HDAC2HDAC3CHRM3
SCHEMBL26426646 0.75 HTR4 (0.49) HTR4HDAC1HDAC2HDAC3ADRA2C
SCHEMBL11819470 0.70 ESR1 (0.37) ADRA1ACYP1A2CYP3A4CYP2C9LMNA
SCHEMBL21705230 0.69 CHRNB4 (0.55) HDAC1HDAC2CHRM3CYP2D6
SCHEMBL28682255 0.67 NCF1 (0.47) HTR4HDAC1HDAC2HDAC3CHRM3
SCHEMBL30398594 0.67 HTR4 (1.00) HTR4ADRA2CHTR1DHTR2BHTR2C
SCHEMBL30364521 0.67 HTR4 (1.00) HTR4ADRA2CHTR1DHTR2BHTR2C
SCHEMBL26807612 0.67 ALDH1A1 (0.37) ADRA1ACYP1A2CYP2C9LMNA
SCHEMBL19765231 0.66 NCF1 (0.41) HTR4HDAC1HDAC2HDAC3CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11835859-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-05 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-20200192222-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-18 US disclosed
US-20200073237-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-05 US disclosed
US-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 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 (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-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS HNRNPU, HNRNPR, ZFR HTR4 849/4885HDAC1 3040/4885HDAC2 3405/4885

“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.