SCHEMBL17818813

SCHEMBL17818813

C[C@@H](N)C1C[C@H]2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.37
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4211835 1.00 HPGD (0.43) HPGDLMNASMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL17818918 0.98 HPGD (0.42) HPGDLMNASMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL29800066 0.98 HPGD (0.42) HPGDLMNASMN1; SMN2POLBKMT2A
SCHEMBL21665549 0.88 MEN1 (0.33) HPGDLMNASMN1; SMN2KMT2AMEN1
SCHEMBL23641078 0.82
SCHEMBL24612981 0.82
SCHEMBL24268929 0.80 LMNA (0.33) HPGDLMNASMN1; SMN2
SCHEMBL24583813 0.80 HPGD (0.46) HPGDLMNASMN1; SMN2POLBKMT2A
SCHEMBL677904 0.80 HPGD (0.46) HPGDLMNASMN1; SMN2POLBKMT2A
SCHEMBL3670072 0.80 HPGD (0.38) HPGDLMNASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 1032/4885LMNA 2777/4885SMN1; SMN2 1322/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 HPGD 1151/4885LMNA 2343/4885SMN1; SMN2 1258/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 HPGD 1032/4885LMNA 2777/4885SMN1; SMN2 1322/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 HPGD 1151/4885LMNA 2343/4885SMN1; SMN2 1258/4885

“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.