SCHEMBL17889253

SCHEMBL17889253

CCOC(=O)CCn1ccnc1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FPR2 P25090 4/20 0.44
LMNA P02545 1/20 0.41
TNF P01375 2/20 0.41

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
SCHEMBL21167189 0.89 FPR2 (0.46) FPR2LMNATNF
SCHEMBL16607263 0.89 FPR2 (0.52) ESR1SMN1; SMN2FPR2
SCHEMBL47378 0.86 FPR2 (0.47) ESR1FPR2LMNATNF
SCHEMBL22356833 0.84 FPR2 (0.43) FPR2LMNATNF
SCHEMBL23047602 0.82 KMT2A (0.42) FPR2LMNA
SCHEMBL2970107 0.80 ALDH1A1 (0.53) SMN1; SMN2FPR2LMNATNF
SCHEMBL18106188 0.79 SMN1; SMN2 (0.44) ESR1SMN1; SMN2
SCHEMBL6199476 0.79 CYP4F2 (0.44) LMNATNF
SCHEMBL28422751 0.79 FPR2 (0.48) ESR1SMN1; SMN2FPR2LMNATNF
SCHEMBL7868637 0.78 HSP90AA1 (0.52) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 EP disclosed
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 EP disclosed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 EP disclosed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 EP disclosed
CN-107207462-B Cyclic amine derivative and medical use thereof 东丽株式会社 2020-03-06 CN disclosed
EP-3050877-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3050877-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
EP-3511002-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
EP-3511002-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
US-10117853-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2018-11-06 US disclosed
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 US disclosed
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 US disclosed
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 US disclosed
EP-3275879-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2018-01-31 EP disclosed
US-9505740-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. 2016-11-29 US disclosed
WO-2016152955-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2016-09-29 WO disclosed
EP-3050877-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2016-08-03 EP disclosed
US-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2016-07-07 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 (3 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-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, OPRL1, CNR1 ESR1 2934/4885SMN1; SMN2 221/4885FPR2 149/4885
US-10117853-B2 Cyclic amine derivative and pharmaceutical use thereof OPRL1, CNP, PDE7A ESR1 4438/4885SMN1; SMN2 13/4885FPR2 87/4885
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF OPRL1, CNP, AANAT ESR1 4386/4885SMN1; SMN2 5/4885FPR2 71/4885

“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.