SCHEMBL4769299

SCHEMBL4769299

COc1ccc(-c2cc(CCl)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
DYRK1A Q13627 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CLK1 P49759 2/20 0.46
CLK2 P49760 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
KDM1A O60341 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL4118545 0.86 RAB9A (0.47) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL4768856 0.84 KDM1A (0.48) NPC1RAB9ACASP3SENP7DYRK1A
SCHEMBL4120443 0.83 CLK4 (0.51) NPC1RAB9ADYRK1ACLK4CLK1
SCHEMBL4772868 0.81 LOXL2 (0.43) CCR1CCR5CCR8KDM1AHDAC1
SCHEMBL4126068 0.81 DYRK1A (0.48) NPC1RAB9ADYRK1ACLK4KDM1A
SCHEMBL4128508 0.80 MAP4K4 (0.46) RAB9ADYRK1ACLK4CLK1CLK2
SCHEMBL4120272 0.78 GAA (0.46) NPC1MAPTALDH1A1KDM4E
SCHEMBL4114573 0.78 DYRK1A (0.39) DYRK1ACLK4CCR1CCR5CCR8
SCHEMBL14154862 0.78 PIK3CA (0.53) NPC1RAB9ACASP3SENP7DYRK1A
SCHEMBL4775515 0.78 ASIC3 (0.50) NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 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-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 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-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 NPC1 804/4885RAB9A 4393/4885CASP3 1735/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 NPC1 84/4885RAB9A 3272/4885CASP3 1072/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 NPC1 1367/4885RAB9A 2305/4885CASP3 2440/4885

“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.