SCHEMBL20063399

SCHEMBL20063399

CCCN[C@H]1CCCC[C@@H]1NC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SSTR3 P32745 1/20 0.33
PIM1 P11309 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 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
SCHEMBL1517387 0.85 S1PR1 (0.41) S1PR1S1PR3PIM1EPHX1KDM4E
Hydrochloric Acid SCHEMBL6656296 0.81 S1PR1 (0.39) S1PR1S1PR3SSTR3PIM1EPHX1
SCHEMBL6659778 0.80 SIGMAR1 (0.30)
SCHEMBL19367684 0.80 SIGMAR1 (0.30)
SCHEMBL22210750 0.78 SIGMAR1 (0.33) EPHX1ALDH1A1
SCHEMBL26620784 0.77 S1PR1 (0.37) S1PR1S1PR3PIM1EPHX1KDM4E
Hydrochloric Acid SCHEMBL6663231 0.75
Perchlorate SCHEMBL6664783 0.75 S1PR1 (0.36) S1PR1S1PR3PIM1EPHX1KDM4E
SCHEMBL24317842 0.73 KDM4E (0.36) S1PR1S1PR3PIM1EPHX1KDM4E
SCHEMBL21660010 0.72 SMN1; SMN2 (0.40) S1PR1S1PR3EPHX1ALDH1A1

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 S1PR1 120/4885S1PR3 97/4885SSTR3 361/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 S1PR1 120/4885S1PR3 97/4885SSTR3 361/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 S1PR1 130/4885S1PR3 97/4885SSTR3 348/4885

“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.