SCHEMBL19249276

SCHEMBL19249276

CC(C)NC(=O)N1CCC(C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ JAK1 P23458 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ KDM1A O60341 1/20 0.35

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
SCHEMBL20647896 1.00 DPP4 (0.45) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL19249271 0.92 DPP4 (0.47) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL19249275 0.86 DPP4 (0.46) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL17546302 0.81 POLB (0.47) DPP4JAK1JAK2JAK3PDE4B
SCHEMBL27023123 0.78 JAK1 (0.42) DPP4CYP2C9JAK1JAK2JAK3
SCHEMBL18704953 0.78 HRH3 (0.45) CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL24851658 0.76 SMN1; SMN2 (0.49) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL12448168 0.76 SMN1; SMN2 (0.49) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL12448073 0.76 SMN1; SMN2 (0.53) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL24567568 0.76 SMN1; SMN2 (0.49) DPP4SMN1; SMN2PKMCYP1A2CYP2C9

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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 — — US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 — — US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885

“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.

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