SCHEMBL9891429

SCHEMBL9891429

O=C(CCCNc1ccccc1)OC1Cc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.41
MTNR1B P49286 11/20 0.41
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TOP2A P11388 1/20 0.34
OPRL1 P41146 3/20 0.34
OPRM1 P35372 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL28185342 0.78 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL10267902 0.71 MTNR1A (0.52) MTNR1AMTNR1BKDM4E
SCHEMBL21117245 0.71 MTNR1A (0.46) MTNR1AMTNR1BOPRL1OPRM1KDM4E
SCHEMBL16943708 0.69 MTNR1A (0.50) MTNR1AMTNR1BOPRL1OPRM1KDM4E
SCHEMBL18826331 0.69 MTNR1A (0.47) MTNR1AMTNR1BMAPTKDM4E
SCHEMBL9610299 0.68 MTNR1A (0.44) MTNR1AMTNR1BKDM4E
SCHEMBL69175 0.68 MTNR1A (0.43) MTNR1AMTNR1BOPRL1OPRM1KDM4E
SCHEMBL21136912 0.68 MTNR1A (0.46) MTNR1AMTNR1BKDM4E
SCHEMBL9756822 0.68 LMNA (0.60) ALDH1A1MAPTTOP2AKDM4E
SCHEMBL17070956 0.67 MTNR1A (0.39) MTNR1AMTNR1BOPRL1OPRM1KDM4E

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-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
US-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
EP-2463714-B1 Basic compound, chemically amplified resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-28 EP disclosed
EP-2463714-A1 Basic compound, chemically amplified resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 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-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GABRA5, GABRB1, GABBR1 MTNR1A 1624/4885MTNR1B 1518/4885ALDH1A1 789/4885

“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.