SCHEMBL18150403

SCHEMBL18150403

O=C(O)NCC1CNCCN1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
ADRB1 P08588 1/20 0.33
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23113551 1.00 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL15741857 0.98 CYP2D6 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL7751868 0.83
SCHEMBL20660262 0.83 GABRA5 (0.38) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL10413581 0.79 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL7238807 0.79 PREP (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL7231358 0.78 PREP (0.32)
SCHEMBL17513288 0.75
SCHEMBL28133185 0.75 ALDH1A1 (0.46) CYP2D6LTA4HLMNA
SCHEMBL7570312 0.75 CHRNB2 (0.30)

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP disclosed
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2021-07-01 US disclosed
EP-3793997-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS Forma Therapeutics, Inc. (US) 2021-03-24 EP disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-10081624-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-09-25 US disclosed
US-20180222896-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-09 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
EP-3187497-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-07-05 EP disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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 (6 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-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS USP30, UCHL1, ADRM1 SLC6A1 2085/4885SLC6A11 2486/4885SLC6A13 2540/4885
US-20180222896-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC11 SLC6A1 1143/4885SLC6A11 1086/4885SLC6A13 1727/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A SLC6A1 2682/4885SLC6A11 2401/4885SLC6A13 3111/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A SLC6A1 2682/4885SLC6A11 2401/4885SLC6A13 3111/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A SLC6A1 2682/4885SLC6A11 2401/4885SLC6A13 3111/4885
US-10081624-B2 Heterocyclic compound HDAC1, HDAC5, HDAC11 SLC6A1 1143/4885SLC6A11 1086/4885SLC6A13 1727/4885

“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.