SCHEMBL3751786

SCHEMBL3751786

O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
P2RX7 Q99572 1/20 0.57
NPC1 O15118 7/20 0.54
RAB9A P51151 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 3/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD11B1 P28845 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL3752594 0.77 ALDH1A1 (0.55) P2RX7NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3749017 0.76 P2RX7 (0.52) P2RX7NPC1RAB9AL3MBTL1GAA
SCHEMBL3742904 0.76 P2RX7 (0.54) P2RX7EPHX2KMT2AALDH1A1HSD11B1
SCHEMBL3741865 0.74 P2RX7 (0.50) P2RX7EPHX2KMT2AALDH1A1
SCHEMBL18906066 0.73 KDM4E (0.83) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL7571375 0.73 P2RX7 (1.00) P2RX7NPC1RAB9AKMT2A
SCHEMBL4578939 0.73 KDM4E (0.77) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4578943 0.73 KDM4E (0.77) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6127192 0.73 KDM4E (0.89) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8657462 0.71 KDM4E (0.74) KDM4ENPC1RAB9AL3MBTL1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 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 (2 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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 KDM4E 3311/4885P2RX7 268/4885NPC1 2237/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 KDM4E 3311/4885P2RX7 268/4885NPC1 2237/4885

“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.