SCHEMBL18367398

SCHEMBL18367398

CN1C(=O)C(N)CCn2nc(CCN3CCC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
RIPK1 Q13546 4/20 0.32
GRM5 P41594 6/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30

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
Hydrochloric Acid SCHEMBL19641571 0.99 HRH3 (0.33) HRH3CYP1A2CYP2D6RIPK1GRM5
SCHEMBL18367383 0.89 RIPK1 (0.36) RIPK1
Hydrochloric Acid SCHEMBL30035988 0.88 RIPK1 (0.35) RIPK1MAPT
SCHEMBL18367437 0.87 RIPK1 (0.31) RIPK1
Hydrochloric Acid SCHEMBL19641447 0.86 RIPK1 (0.31) RIPK1
SCHEMBL18367446 0.86 NOS3 (0.36) RIPK1
SCHEMBL18367406 0.85 GRM5 (0.30) RIPK1GRM5
Hydrochloric Acid SCHEMBL19641439 0.85 NOS3 (0.35) RIPK1
SCHEMBL18367432 0.85 CYP3A4 (0.35) RIPK1GRM5CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL19641525 0.84 GRM5 (0.30) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HRH3 2087/4885CYP1A2 61/4885CYP2D6 159/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HRH3 2087/4885CYP1A2 61/4885CYP2D6 159/4885

“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.