SCHEMBL4123414

SCHEMBL4123414

COc1cc(-c2cc(CN3CCC(Nc4ccccc4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.56
BACE1 P56817 5/20 0.56
BCHE P06276 4/20 0.53
SIGMAR1 Q99720 1/20 0.50
NSD2 O96028 1/20 0.48
SSTR5 P35346 4/20 0.46
MCHR1 Q99705 1/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4110483 0.91 ACHE (0.49) ACHEBACE1BCHESIGMAR1SSTR5
SCHEMBL4108787 0.91 NSD2 (0.49) ACHEBACE1BCHESIGMAR1NSD2
SCHEMBL4116078 0.89 ACHE (0.49) ACHEBACE1BCHESIGMAR1NSD2
SCHEMBL4120483 0.88 ACHE (0.47) ACHEBACE1BCHESIGMAR1NSD2
SCHEMBL4110027 0.87 ACHE (0.69) ACHEBACE1BCHESIGMAR1MEN1
SCHEMBL4111210 0.87 ACHE (0.46) ACHEBACE1BCHESIGMAR1SSTR5
SCHEMBL4114243 0.87 BACE1 (0.50) ACHEBACE1BCHESIGMAR1NSD2
SCHEMBL7161609 0.86 HCRTR1 (0.51) ACHEBACE1BCHEPOLB
SCHEMBL4764246 0.86 BACE1 (0.51) ACHEBACE1BCHESIGMAR1
SCHEMBL4127456 0.85 ACHE (0.46) ACHEBACE1BCHESIGMAR1NSD2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 ACHE 4596/4885BACE1 4421/4885BCHE 4168/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 ACHE 4797/4885BACE1 4563/4885BCHE 4545/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 ACHE 4797/4885BACE1 4563/4885BCHE 4545/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 ACHE 2123/4885BACE1 2231/4885BCHE 3252/4885

“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.