SCHEMBL17818754

SCHEMBL17818754

C[C](C(N)=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 2/20 0.42
HSD11B1 P28845 4/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8073574 0.81 EPHX1 (0.44) ALDH1A1CRHBPHTTCRHR2MCOLN3
Acetamide SCHEMBL28922396 0.77 ALDH1A1 (0.46) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL7921622 0.76 ALDH1A1 (0.48) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL19757635 0.75 HSD11B1 (0.47) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL176523 0.75 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL6877661 0.75 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL159994 0.75 HSD11B1 (0.47) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL14917397 0.75 TDP1 (0.46) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL15023288 0.74 ALDH1A1 (0.40) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL7627478 0.73 ALDH1A1 (0.50) ALDH1A1CRHBPHTTCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 ALDH1A1 2404/4885CRHBP 2804/4885HTT 106/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 ALDH1A1 2484/4885CRHBP 2643/4885HTT 61/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 ALDH1A1 2404/4885CRHBP 2804/4885HTT 106/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 ALDH1A1 2484/4885CRHBP 2643/4885HTT 61/4885

“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.