SCHEMBL20697176

SCHEMBL20697176

Nc1cccn([C@@H]2CCCCCOCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
DHODH Q02127 2/20 0.36
CNR2 P34972 2/20 0.35
IL4I1 Q96RQ9 2/20 0.35
OGFRL1 Q5TC84 2/20 0.35
CNR1 P21554 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TYK2 P29597 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL21285410 0.96 DHODH (0.36) DHODHCNR2IL4I1OGFRL1CNR1
SCHEMBL20688017 0.91 HCAR1 (0.38) BACE1DHODHHCAR1TYK2
SCHEMBL16794604 0.88 GLA (0.40) DHODHIL4I1OGFRL1GLAPOLB
SCHEMBL15803819 0.87 IL4I1 (0.39) DHODHIL4I1OGFRL1GLAPOLB
SCHEMBL16812515 0.83 IL4I1 (0.39) DHODHIL4I1OGFRL1HCAR1GLA
SCHEMBL20678985 0.83 TYK2 (0.38) TYK2
SCHEMBL20678854 0.83 TYK2 (0.38) TYK2
SCHEMBL20678851 0.83 TYK2 (0.38) TYK2
SCHEMBL20688516 0.82 TYK2 (0.41) BACE1IL4I1TYK2
SCHEMBL20689379 0.82 TYK2 (0.41) BACE1IL4I1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (9 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 BACE1 4408/4885DHODH 3066/4885CNR2 3535/4885

“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.