SCHEMBL21707875

SCHEMBL21707875

CCCCC(C)(C)C1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.35
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL21191731 0.94 CYP1A2 (0.36) PRCPCYP1A2
SCHEMBL24926377 0.93 PRCP (0.40) PRCPGNAI3GNAO1GNAI1
SCHEMBL26273797 0.93 PRCP (0.40) PRCPGNAI3GNAO1GNAI1
SCHEMBL26775584 0.93 PRCP (0.40) PRCPGNAI3GNAO1GNAI1
SCHEMBL23634135 0.89 CCR2 (0.38) PRCPCYP1A2GNAI3GNAO1GNAI1
SCHEMBL19787861 0.88 KDM4E (0.33) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL22023689 0.87 CCR2 (0.40) PRCPCYP1A2GNAI3GNAO1GNAI1
SCHEMBL19627516 0.85 PRCP (0.35) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL22022347 0.82 CCR2 (0.35) CYP1A2
SCHEMBL21180382 0.82 CCR2 (0.35) CYP1A2

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-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. 2022-12-29 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 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 (5 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-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCH, PRKCB PRCP 2205/4885CYP1A2 4622/4885KDM4E 3104/4885
US-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL PRCP 35/4885CYP1A2 4409/4885KDM4E 3253/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL PRCP 35/4885CYP1A2 4409/4885KDM4E 3253/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PRCP 863/4885CYP1A2 222/4885KDM4E 1899/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PRCP 863/4885CYP1A2 222/4885KDM4E 1899/4885

“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.