SCHEMBL20063373

SCHEMBL20063373

CC(C)N[C@H]1CCCC[C@@H]1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
FUCA1 P04066 1/20 0.45
GRIN2B Q13224 2/20 0.44
SSTR3 P32745 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EBP Q15125 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HTT P42858 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL27010643 1.00 KDM1A (0.47) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL2198525 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL2936924 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL2197644 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL491107 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL2197651 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
SCHEMBL2798417 0.88 KDM1A (0.58) KDM1AMAOAFUCA1GRIN2BSSTR3
Bromide SCHEMBL18129441 0.86 KDM1A (0.56) KDM1AMAOAFUCA1GRIN2BSSTR3
Bromide SCHEMBL17822680 0.86 KDM1A (0.56) KDM1AMAOAFUCA1GRIN2BSSTR3
Ammonia Solution, Strong SCHEMBL2987109 0.86 KDM1A (0.56) KDM1AMAOAFUCA1GRIN2BSSTR3

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 KDM1A 2698/4885MAOA 3172/4885FUCA1 3782/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KDM1A 2698/4885MAOA 3172/4885FUCA1 3782/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOA 3140/4885FUCA1 3816/4885

“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.