SCHEMBL20187125

SCHEMBL20187125

O=C1N(c2ccc(C(F)(F)F)cc2F)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.59
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
HSD17B10 Q99714 1/20 0.42
NPC1L1 Q9UHC9 1/20 0.39
FPR2 P25090 2/20 0.38
TACR1 P25103 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPY5R Q15761 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PLD2 O14939 1/20 0.35

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
SCHEMBL20187193 0.92 DDR1 (0.59) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL20187127 0.86 DDR1 (0.60) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL20187117 0.85 DDR1 (0.58) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL20187089 0.85 DDR1 (0.58) DDR1OPRM1OPRL1HSD17B10
SCHEMBL20187035 0.84 DDR1 (0.57) DDR1OPRM1OPRL1HSD17B10TACR1
SCHEMBL20187107 0.84 DDR1 (0.53) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL20187038 0.80 DDR1 (0.60) DDR1NPC1L1TACR1
SCHEMBL20187108 0.78 DDR1 (0.60) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL20187016 0.77 HSD17B10 (0.57) DDR1OPRM1OPRL1HSD17B10NPC1L1
SCHEMBL18374143 0.75 DDR1 (1.00) DDR1

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
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 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 (4 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885OPRM1 4280/4885OPRL1 2399/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885OPRM1 4280/4885OPRL1 2399/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885OPRM1 4280/4885OPRL1 2399/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885OPRM1 4280/4885OPRL1 2399/4885

“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.