SCHEMBL3899511

SCHEMBL3899511

Brc1ccc(CNC2CCCC[C@H]2NCc2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
SSTR3 P32745 5/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
POLB P06746 1/20 0.46
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44
HDAC1 Q13547 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 1/20 0.42
PYCR1 P32322 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
SCHEMBL3899502 1.00 KDM1A (0.56) KDM1ASSTR3MGAMSIHRH3
SCHEMBL11447152 0.88 L3MBTL1 (0.50) KDM1ASSTR3MGAMSIHRH3
SCHEMBL11431895 0.84 HRH3 (0.69) KDM1AHRH3POLBACHEBCHE
SCHEMBL6224747 0.82 HRH3 (0.72) KDM1AHRH3POLBACHEBCHE
SCHEMBL23124659 0.80 HRH3 (0.63) KDM1AHRH3POLBACHEBCHE
SCHEMBL8314076 0.80 SSTR3 (0.61) SSTR3HRH3POLBACHEBCHE
SCHEMBL19329149 0.80 POLB (0.70) KDM1ASSTR3HRH3POLBACHE
SCHEMBL8315514 0.80 SSTR3 (0.69) KDM1ASSTR3HRH3POLB
SCHEMBL2197651 0.79 KDM1A (0.58) KDM1ASSTR3HRH3ACHEBCHE
SCHEMBL2798417 0.79 KDM1A (0.58) KDM1ASSTR3HRH3ACHEBCHE

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-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 US disclosed
US-7534905-B2 Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-19 US disclosed
US-20050288525-A1 Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-29 US disclosed
WO-2003074534-A9 REAGENTS FOR ASYMMETRIC ALLYLATION, ALDOL, AND TANDEM ALDOL AND ALLYLATION REACTIONS UNIV COLUMBIA (US) 2003-11-20 WO 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 (1 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-20050288525-A1 Reagents for asymmetric allylation, aldol, and tandem aldol and allylation reactions AKR1C3, AKR1B10, CBR3 KDM1A 3493/4885SSTR3 313/4885MGAM 3855/4885

“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.